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Gummiferaoside C

Family: Plantae - Mimosaceae
Kingdom: Plantae
Class: Saponin
- Subclass: Triterpenoid Saponin

Canonical Smiles	OC[C@H]1O[C@@H](OC(=O)[C@@]23C[C@H](OC(=O)/C(=C\CC[C@](O[C@@H]4O[C@H](C)[C@H]([C@@H]([C@H]4O)O)OC(=O)/C(=C/CC[C@](O[C@@H]4O[C@H](C)[C@H]([C@@H]([C@H]4O)O)OC(=O)/C(=C/CC[C@](O[C@@H]4O[C@H](C)[C@H]([C@@H]([C@H]4O)O)O)(C=C)C)/C)(C=C)C)/C)(C=C)C)/C)C(C[C@H]3C3=CC[C@H]4[C@@]([C@@]3(C[C@H]2O)C)(C)CCC2[C@]4(C)CC[C@@H](C2(C)C)O[C@@H]2O[C@H](CO[C@@H]3O[C@H](C)[C@@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O
InChI	InChI=1S/C113H178O50/c1-22-107(16,161-99-83(135)73(125)67(119)51(8)146-99)36-26-29-48(5)93(140)155-88-53(10)149-101(86(138)79(88)131)163-109(18,24-3)37-27-30-49(6)94(141)156-87-52(9)148-100(85(137)78(87)130)162-108(17,23-2)35-25-28-47(4)92(139)153-65-42-113(104(142)160-103-91(75(127)70(122)59(44-115)151-103)158-97-84(136)77(129)89(54(11)147-97)157-96-80(132)68(120)57(116)45-143-96)56(40-105(65,12)13)55-31-32-62-110(19)38-34-64(106(14,15)61(110)33-39-111(62,20)112(55,21)41-63(113)117)154-102-90(159-98-82(134)74(126)69(121)58(43-114)150-98)76(128)71(123)60(152-102)46-144-95-81(133)72(124)66(118)50(7)145-95/h22-24,28-31,50-54,56-91,95-103,114-138H,1-3,25-27,32-46H2,4-21H3/b47-28-,48-29+,49-30+/t50-,51-,52-,53-,54+,56+,57-,58-,59-,60-,61?,62-,63-,64+,65+,66+,67-,68+,69-,70-,71-,72+,73+,74+,75+,76+,77+,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89+,90-,91-,95-,96+,97+,98+,99+,100+,101+,102+,103+,107-,108-,109-,110+,111-,112-,113-/m1/s1
InChIKey	MGIDRSGNPPWHNL-FRNTXLGMSA-N
Formula	C₁₁₃H₁₇₈O₅₀
HBA	50
HBD	25
MW	2336.62
Rotatable Bonds	39
TPSA	767.86
LogP	-2.55
Number Rings	14
Number Aromatic Rings	0
Heavy Atom Count	163
Formal Charge	0
Fraction CSP3	0.84
Exact Mass	2335.14
Number of Lipinski Rule Violations	3

#	Species	Family	Kingdom	NCBI Taxonomy ID
1	Albizia coriaria	Mimosaceae	Plantae	2708711

Showing of synonyms

Noté OP, Mitaine-Offer AC, et al. (2009). Cytotoxic acacic acid glycosides from the roots of Albizia coriaria.. Journal of natural products,2009, 72(10), 1725-1730. [View] [PubMed]

Pubchem: 46882381

Chembl: CHEMBL1077453

No compound-protein relationship available.

SMILES: O1CCCCC1OCC2CCC(OC3CCCCO3)C(O2)OC(CC4)CC(CC5)C4C(CC6)C5C(CC7)C=6C(C78C(=O)OC(OCCC9)C9OC(OC1)CCC1OC1CCCCO1)CCC(C8)OC(=O)C=CCCCOC(OC1)CCC1OC(=O)C=CCCCOC(OC1)CCC1OC(=O)C=CCCCOC1CCCCO1

Level: 9

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCC2CCCC(O2)OC(CC3)CC(CC4)C3C(CC5)C4C(CC6)C=5C(C67C(=O)OC(OCCC8)C8OC(OC9)CCC9OC1CCCCO1)CCC(C7)OC(=O)C=CCCCOC(OC1)CCC1OC(=O)C=CCCCOC(OC1)CCC1OC(=O)C=CCCCOC1CCCCO1

Level: 8

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCC2CCC(OC3CCCCO3)C(O2)OC(CC4)CC(CC5)C4C(CC6)C5C(CC7)C=6C(C78C(=O)OC(OCCC9)C9OC1CCCCO1)CCC(C8)OC(=O)C=CCCCOC(OC1)CCC1OC(=O)C=CCCCOC(OC1)CCC1OC(=O)C=CCCCOC1CCCCO1

Level: 8

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OC2C(OCCC2)OC(CC3)CC(CC4)C3C(CC5)C4C(CC6)C=5C(C67C(=O)OC(OCCC8)C8OC(OC9)CCC9OC1CCCCO1)CCC(C7)OC(=O)C=CCCCOC(OC1)CCC1OC(=O)C=CCCCOC(OC1)CCC1OC(=O)C=CCCCOC1CCCCO1

Level: 8

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCCCC=CC(=O)OC2CCC(OC2)OCCCC=CC(=O)OC(C3)CCC(C34C(=O)OC(OCCC5)C5OC(OC6)CCC6OC7CCCCO7)C=8C(CC4)C9C(CC8)C1C(CC9)CC(CC1)OC(O1)C(OC2CCCCO2)CCC1COC1CCCCO1

Level: 8

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCC2CCCC(O2)OC(CC3)CC(CC4)C3C(CC5)C4C(CC6)C=5C(C67C(=O)OC(OCCC8)C8OC9CCCCO9)CCC(C7)OC(=O)C=CCCCOC(OC1)CCC1OC(=O)C=CCCCOC(OC1)CCC1OC(=O)C=CCCCOC1CCCCO1

Level: 7

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCC2CCC(OC3CCCCO3)C(O2)OC(CC4)CC(CC5)C4C(CC6)C5C(CC7)C=6C(C78C(=O)OC9CCCCO9)CCC(C8)OC(=O)C=CCCCOC(OC1)CCC1OC(=O)C=CCCCOC(OC1)CCC1OC(=O)C=CCCCOC1CCCCO1

Level: 7

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OC2CCC(OC2)OC3C(OCCC3)OC(=O)C45C(C=6C(CC5)C7C(CC6)C8C(CC7)CC(CC8)OC9CCCCO9)CCC(C4)OC(=O)C=CCCCOC(OC1)CCC1OC(=O)C=CCCCOC(OC1)CCC1OC(=O)C=CCCCOC1CCCCO1

Level: 7

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OC2C(OCCC2)OC(CC3)CC(CC4)C3C(CC5)C4C(CC6)C=5C(C67C(=O)OC(OCCC8)C8OC9CCCCO9)CCC(C7)OC(=O)C=CCCCOC(OC1)CCC1OC(=O)C=CCCCOC(OC1)CCC1OC(=O)C=CCCCOC1CCCCO1

Level: 7

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCCCC=CC(=O)OC2CCC(OC2)OCCCC=CC(=O)OC(C3)CCC(C34C(=O)OC(OCCC5)C5OC6CCCCO6)C=7C(CC4)C8C(CC7)C9C(CC8)CC(CC9)OC(O1)C(OC2CCCCO2)CCC1COC1CCCCO1

Level: 7

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCCCC=CC(=O)OC2CCC(OC2)OCCCC=CC(=O)OC(C3)CCC(C34C(=O)OC(OCCC5)C5OC(OC6)CCC6OC7CCCCO7)C=8C(CC4)C9C(CC8)C1C(CC9)CC(CC1)OC(O1)CCCC1COC1CCCCO1

Level: 7

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OC2C(OCCC2)OC(CC3)CC(CC4)C3C(CC5)C4C(CC6)C=5C(C67C(=O)OC(OCCC8)C8OC(OC9)CCC9OC1CCCCO1)CCC(C7)OC(=O)C=CCCCOC(OC1)CCC1OC(=O)C=CCCCOC1CCCCO1

Level: 7

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCCCC=CC(=O)OC(C2)CCC(C23C(=O)OC(OCCC4)C4OC(OC5)CCC5OC6CCCCO6)C=7C(CC3)C8C(CC7)C9C(CC8)CC(CC9)OC(O1)C(OC2CCCCO2)CCC1COC1CCCCO1

Level: 7

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCC2CCCC(O2)OC(CC3)CC(CC4)C3C(CC5)C4C(CC6)C=5C(C67C(=O)OC8CCCCO8)CCC(C7)OC(=O)C=CCCCOC(OC9)CCC9OC(=O)C=CCCCOC(OC1)CCC1OC(=O)C=CCCCOC1CCCCO1

Level: 6

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OC2CCC(OC2)OC3C(OCCC3)OC(=O)C45C(C=6C(CC5)C7C(CC6)C8C(CC7)CCCC8)CCC(C4)OC(=O)C=CCCCOC(OC9)CCC9OC(=O)C=CCCCOC(OC1)CCC1OC(=O)C=CCCCOC1CCCCO1

Level: 6

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OC2C(OCCC2)OC(CC3)CC(CC4)C3C(CC5)C4C(CC6)C=5C(C67C(=O)OC8CCCCO8)CCC(C7)OC(=O)C=CCCCOC(OC9)CCC9OC(=O)C=CCCCOC(OC1)CCC1OC(=O)C=CCCCOC1CCCCO1

Level: 6

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OC(CC2)CC(CC3)C2C(CC4)C3C(CC5)C=4C(C56C(=O)OC(OCCC7)C7OC8CCCCO8)CCC(C6)OC(=O)C=CCCCOC(OC9)CCC9OC(=O)C=CCCCOC(OC1)CCC1OC(=O)C=CCCCOC1CCCCO1

Level: 6

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCC2CCC(OC3CCCCO3)C(O2)OC(CC4)CC(CC5)C4C(CC6)C5C(C=67)CCC8C7CCC(C8)OC(=O)C=CCCCOC(OC9)CCC9OC(=O)C=CCCCOC(OC1)CCC1OC(=O)C=CCCCOC1CCCCO1

Level: 6

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCCCC=CC(=O)OC2CCC(OC2)OCCCC=CC(=O)OC(C3)CCC(C34C(=O)OC5CCCCO5)C=6C(CC4)C7C(CC6)C8C(CC7)CC(CC8)OC(O9)C(OC1CCCCO1)CCC9COC1CCCCO1

Level: 6

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCCCC=CC(=O)OC2CCC(OC2)OCCCC=CC(=O)OC(C3)CCC(C34C(=O)OC(OCCC5)C5OC6CCCCO6)C=7C(CC4)C8C(CC7)C9C(CC8)CC(CC9)OC(O1)CCCC1COC1CCCCO1

Level: 6

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OC2CCC(OC2)OC3C(OCCC3)OC(=O)C45C(C=6C(CC5)C7C(CC6)C8C(CC7)CC(CC8)OC9CCCCO9)CCC(C4)OC(=O)C=CCCCOC(OC1)CCC1OC(=O)C=CCCCOC1CCCCO1

Level: 6

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OC2C(OCCC2)OC(CC3)CC(CC4)C3C(CC5)C4C(CC6)C=5C(C67C(=O)OC(OCCC8)C8OC9CCCCO9)CCC(C7)OC(=O)C=CCCCOC(OC1)CCC1OC(=O)C=CCCCOC1CCCCO1

Level: 6

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCCCC=CC(=O)OC(C2)CCC(C23C(=O)OC(OCCC4)C4OC5CCCCO5)C=6C(CC3)C7C(CC6)C8C(CC7)CC(CC8)OC(O9)C(OC1CCCCO1)CCC9COC1CCCCO1

Level: 6

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCCCC=CC(=O)OC(C2)CCC(C23C(=O)OC(OCCC4)C4OC(OC5)CCC5OC6CCCCO6)C=7C(CC3)C8C(CC7)C9C(CC8)CC(CC9)OC(O1)CCCC1COC1CCCCO1

Level: 6

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCCCC=CC(=O)OC(C2)CCC(C23C(=O)OC(OCCC4)C4OC(OC5)CCC5OC6CCCCO6)C=7C(CC3)C8C(CC7)C9C(CC8)CC(CC9)OC(OCCC1)C1OC1CCCCO1

Level: 6

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OC2CCC(OC2)OC3C(OCCC3)OC(=O)C45C(CCCC5)C=6C(CC4)C7C(CC6)C8C(CC7)CC(CC8)OC(O9)C(OC1CCCCO1)CCC9COC1CCCCO1

Level: 6

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OC2C(OCCC2)OC(=O)C34C(C=5C(CC4)C6C(CC5)C7C(CC6)CCCC7)CCC(C3)OC(=O)C=CCCCOC(OC8)CCC8OC(=O)C=CCCCOC(OC9)CCC9OC(=O)C=CCCCOC1CCCCO1

Level: 5

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OC(CC2)CC(CC3)C2C(CC4)C3C(CC5)C=4C(C56C(=O)OC7CCCCO7)CCC(C6)OC(=O)C=CCCCOC(OC8)CCC8OC(=O)C=CCCCOC(OC9)CCC9OC(=O)C=CCCCOC1CCCCO1

Level: 5

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCC2CCCC(O2)OC(CC3)CC(CC4)C3C(CC5)C4C(C=56)CCC7C6CCC(C7)OC(=O)C=CCCCOC(OC8)CCC8OC(=O)C=CCCCOC(OC9)CCC9OC(=O)C=CCCCOC1CCCCO1

Level: 5

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OC2C(OCCC2)OC(CC3)CC(CC4)C3C(CC5)C4C(C=56)CCC7C6CCC(C7)OC(=O)C=CCCCOC(OC8)CCC8OC(=O)C=CCCCOC(OC9)CCC9OC(=O)C=CCCCOC1CCCCO1

Level: 5

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCCCC=CC(=O)OC2CCC(OC2)OCCCC=CC(=O)OC(C3)CCC(C34C(=O)OC5CCCCO5)C=6C(CC4)C7C(CC6)C8C(CC7)CC(CC8)OC(O9)CCCC9COC1CCCCO1

Level: 5

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OC2CCC(OC2)OC3C(OCCC3)OC(=O)C45C(C=6C(CC5)C7C(CC6)C8C(CC7)CCCC8)CCC(C4)OC(=O)C=CCCCOC(OC9)CCC9OC(=O)C=CCCCOC1CCCCO1

Level: 5

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OC2C(OCCC2)OC(CC3)CC(CC4)C3C(CC5)C4C(CC6)C=5C(C67C(=O)OC8CCCCO8)CCC(C7)OC(=O)C=CCCCOC(OC9)CCC9OC(=O)C=CCCCOC1CCCCO1

Level: 5

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OC(CC2)CC(CC3)C2C(CC4)C3C(CC5)C=4C(C56C(=O)OC(OCCC7)C7OC8CCCCO8)CCC(C6)OC(=O)C=CCCCOC(OC9)CCC9OC(=O)C=CCCCOC1CCCCO1

Level: 5

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCCCC=CC(=O)OC2CCC(OC2)OCCCC=CC(=O)OC(C3)CCC4C3CCC(C4=5)C6C(CC5)C7C(CC6)CC(CC7)OC(O8)C(OC9CCCCO9)CCC8COC1CCCCO1

Level: 5

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCCCC=CC(=O)OC(C2)CCC(C23C(=O)OC4CCCCO4)C=5C(CC3)C6C(CC5)C7C(CC6)CC(CC7)OC(O8)C(OC9CCCCO9)CCC8COC1CCCCO1

Level: 5

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCCCC=CC(=O)OC(C2)CCC(C23C(=O)OC(OCCC4)C4OC5CCCCO5)C=6C(CC3)C7C(CC6)C8C(CC7)CC(CC8)OC(O9)CCCC9COC1CCCCO1

Level: 5

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCCCC=CC(=O)OC(C2)CCC(C=3C(CC4)C5C(CC3)C6C(CC5)CC(CC6)OC7CCCCO7)C24C(=O)OC(OCCC8)C8OC(OC9)CCC9OC1CCCCO1

Level: 5

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCCCC=CC(=O)OC(C2)CCC(C23C(=O)OC(OCCC4)C4OC5CCCCO5)C=6C(CC3)C7C(CC6)C8C(CC7)CC(CC8)OC(OCCC9)C9OC1CCCCO1

Level: 5

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OC2CCC(OC2)OC3C(OCCC3)OC(=O)C45C(CCCC5)C=6C(CC4)C7C(CC6)C8C(CC7)CC(CC8)OC(O9)CCCC9COC1CCCCO1

Level: 5

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OC2C(OCCC2)OC(=O)C34C(CCCC4)C=5C(CC3)C6C(CC5)C7C(CC6)CC(CC7)OC(O8)C(OC9CCCCO9)CCC8COC1CCCCO1

Level: 5

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OC2CCC(OC2)OC3C(OCCC3)OC(=O)C45C(CCCC5)C=6C(CC4)C7C(CC6)C8C(CC7)CC(CC8)OC(OCCC9)C9OC1CCCCO1

Level: 5

Mol. Weight: 2336.62 g/mol

SMILES: C1CCCC(CC2)C1C(CC3)C2C(CC4)C=3C(C45C(=O)OC6CCCCO6)CCC(C5)OC(=O)C=CCCCOC(OC7)CCC7OC(=O)C=CCCCOC(OC8)CCC8OC(=O)C=CCCCOC9CCCCO9

Level: 4

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OC(CC2)CC(CC3)C2C(CC4)C3C(C=45)CCC6C5CCC(C6)OC(=O)C=CCCCOC(OC7)CCC7OC(=O)C=CCCCOC(OC8)CCC8OC(=O)C=CCCCOC9CCCCO9

Level: 4

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OC2C(OCCC2)OC(=O)C34C(C=5C(CC4)C6C(CC5)C7C(CC6)CCCC7)CCC(C3)OC(=O)C=CCCCOC(OC8)CCC8OC(=O)C=CCCCOC9CCCCO9

Level: 4

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OC(CC2)CC(CC3)C2C(CC4)C3C(CC5)C=4C(C56C(=O)OC7CCCCO7)CCC(C6)OC(=O)C=CCCCOC(OC8)CCC8OC(=O)C=CCCCOC9CCCCO9

Level: 4

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCCCC=CC(=O)OC2CCC(OC2)OCCCC=CC(=O)OC(C3)CCC4C3CCC(C4=5)C6C(CC5)C7C(CC6)CC(CC7)OC(O8)CCCC8COC9CCCCO9

Level: 4

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCCCC=CC(=O)OC2CCC(OC2)OCCCC=CC(=O)OC(C3)CCC4C3CCC(C4=5)C6C(CC5)C7C(CC6)CC(CC7)OC(OCCC8)C8OC9CCCCO9

Level: 4

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCCCC=CC(=O)OC(C2)CCC(C23C(=O)OC4CCCCO4)C=5C(CC3)C6C(CC5)C7C(CC6)CC(CC7)OC(O8)CCCC8COC9CCCCO9

Level: 4

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCCCC=CC(=O)OC(C2)CCC(C=3C(CC4)C5C(CC3)C6C(CC5)CCCC6)C24C(=O)OC(OCCC7)C7OC(OC8)CCC8OC9CCCCO9

Level: 4

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCCCC=CC(=O)OC(C2)CCC(C23C(=O)OC4CCCCO4)C=5C(CC3)C6C(CC5)C7C(CC6)CC(CC7)OC(OCCC8)C8OC9CCCCO9

Level: 4

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCCCC=CC(=O)OC(C2)CCC(C23C(=O)OC(OCCC4)C4OC5CCCCO5)C=6C(CC3)C7C(CC6)C8C(CC7)CC(CC8)OC9CCCCO9

Level: 4

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCCCC=CC(=O)OC(C2)CCC3C2CCC(C3=4)C5C(CC4)C6C(CC5)CC(CC6)OC(O7)C(OC8CCCCO8)CCC7COC9CCCCO9

Level: 4

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OC2C(OCCC2)OC(=O)C34C(CCCC4)C=5C(CC3)C6C(CC5)C7C(CC6)CC(CC7)OC(O8)CCCC8COC9CCCCO9

Level: 4

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OC(=O)C23C(CCCC3)C=4C(CC2)C5C(CC4)C6C(CC5)CC(CC6)OC(O7)C(OC8CCCCO8)CCC7COC9CCCCO9

Level: 4

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OC2CCC(OC2)OC3C(OCCC3)OC(=O)C45C(CCCC5)C=6C(CC4)C7C(CC6)C8C(CC7)CC(CC8)OC9CCCCO9

Level: 4

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OC2C(OCCC2)OC(=O)C34C(CCCC4)C=5C(CC3)C6C(CC5)C7C(CC6)CC(CC7)OC(OCCC8)C8OC9CCCCO9

Level: 4

Mol. Weight: 2336.62 g/mol

SMILES: C1CCCC(CC2)C1C(CC3)C2C(C=34)CCC5C4CCC(C5)OC(=O)C=CCCCOC(OC6)CCC6OC(=O)C=CCCCOC(OC7)CCC7OC(=O)C=CCCCOC8CCCCO8

Level: 3

Mol. Weight: 2336.62 g/mol

SMILES: C1CCCC(CC2)C1C(CC3)C2C(CC4)C=3C(C45C(=O)OC6CCCCO6)CCC(C5)OC(=O)C=CCCCOC(OC7)CCC7OC(=O)C=CCCCOC8CCCCO8

Level: 3

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OC(CC2)CC(CC3)C2C(CC4)C3C(C=45)CCC6C5CCC(C6)OC(=O)C=CCCCOC(OC7)CCC7OC(=O)C=CCCCOC8CCCCO8

Level: 3

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCCCC=CC(=O)OC(C2)CCC(C=3C(CC4)C5C(CC3)C6C(CC5)CCCC6)C24C(=O)OC(OCCC7)C7OC8CCCCO8

Level: 3

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCCCC=CC(=O)OC(C2)CCC(C23C(=O)OC4CCCCO4)C=5C(CC3)C6C(CC5)C7C(CC6)CC(CC7)OC8CCCCO8

Level: 3

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCCCC=CC(=O)OC(C2)CCC3C2CCC(C3=4)C5C(CC4)C6C(CC5)CC(CC6)OC(O7)CCCC7COC8CCCCO8

Level: 3

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCCCC=CC(=O)OC(C2)CCC3C2CCC(C3=4)C5C(CC4)C6C(CC5)CC(CC6)OC(OCCC7)C7OC8CCCCO8

Level: 3

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OC(=O)C23C(CCCC3)C=4C(CC2)C5C(CC4)C6C(CC5)CC(CC6)OC(O7)CCCC7COC8CCCCO8

Level: 3

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OC2C(OCCC2)OC(=O)C34C(CCCC4)C=5C(CC3)C6C(CC5)C7C(CC6)CC(CC7)OC8CCCCO8

Level: 3

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OC(=O)C23C(CCCC3)C=4C(CC2)C5C(CC4)C6C(CC5)CC(CC6)OC(OCCC7)C7OC8CCCCO8

Level: 3

Mol. Weight: 2336.62 g/mol

SMILES: C1CCCC(CC2)C1C(CC3)C2C(CC4)C=3C(CCCC5)C45C(=O)OC(OCCC6)C6OC(OC7)CCC7OC8CCCCO8

Level: 3

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCC2CCC(OC3CCCCO3)C(O2)OC(CC4)CC(CC5)C4C(CC6)C5C(C=67)CCC8C7CCCC8

Level: 3

Mol. Weight: 2336.62 g/mol

SMILES: C1CCCC(CC2)C1C(CC3)C2C(C=34)CCC5C4CCC(C5)OC(=O)C=CCCCOC(OC6)CCC6OC(=O)C=CCCCOC7CCCCO7

Level: 2

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCCCC=CC(=O)OC(C2)CCC(C23C(=O)OC4CCCCO4)C=5C(CC3)C6C(CC5)C7C(CC6)CCCC7

Level: 2

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCCCC=CC(=O)OC(C2)CCC3C2CCC(C3=4)C5C(CC4)C6C(CC5)CC(CC6)OC7CCCCO7

Level: 2

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OC2C(OCCC2)OC(=O)C34C(CCCC4)C=5C(CC3)C6C(CC5)C7C(CC6)CCCC7

Level: 2

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OC(=O)C23C(CCCC3)C=4C(CC2)C5C(CC4)C6C(CC5)CC(CC6)OC7CCCCO7

Level: 2

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCC2CCCC(O2)OC(CC3)CC(CC4)C3C(CC5)C4C(C=56)CCC7C6CCCC7

Level: 2

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCCCC=CC(=O)OC2CCC(OC2)OCCCC=CC(=O)OC3CCCOC3

Level: 2

Mol. Weight: 2336.62 g/mol

SMILES: C1CCCC2C1CCC(C2=3)C4C(CC3)C5C(CC4)CC(CC5)OC(OCCC6)C6OC7CCCCO7

Level: 2

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCC2CCC(CO2)OC3CCCCO3

Level: 2

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OC2CCC(OC2)OC3CCCOC3

Level: 2

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OCCCC=CC(=O)OC(C2)CCC3C2CCC(C3=4)C5C(CC4)C6C(CC5)CCCC6

Level: 1

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1OC(=O)C23C(CCCC3)C=4C(CC2)C5C(CC4)C6C(CC5)CCCC6

Level: 1

Mol. Weight: 2336.62 g/mol

SMILES: C1CCCC2C1CCC(C2=3)C4C(CC3)C5C(CC4)CC(CC5)OC6CCCCO6

Level: 1

Mol. Weight: 2336.62 g/mol

SMILES: C1OCCCC1OC(=O)C=CCCCOC2CCCCO2

Level: 1

Mol. Weight: 2336.62 g/mol

SMILES: O1CCCCC1COC2CCCCO2

Level: 1

Mol. Weight: 2336.62 g/mol

SMILES: C1OCCCC1OC2CCCCO2

Level: 1

Mol. Weight: 2336.62 g/mol

SMILES: C1CCCC2C1CCC(C2=3)C4C(CC3)C5C(CC4)CCCC5

Level: 0

Mol. Weight: 2336.62 g/mol

SMILES: C1CCOCC1

Level: 0

Mol. Weight: 2336.62 g/mol

No bioactivities available.

Absorption

Caco-2 (logPapp): -
Human Oral Bioavailability 20%: -
Human Intestinal Absorption: -
Madin-Darby Canine Kidney: -
Human Oral Bioavailability 50%: -
P-Glycoprotein Inhibitor: -
P-Glycoprotein Substrate: -
Skin Permeability: -

Distribution

Blood-Brain Barrier (CNS): -
Blood-Brain Barrier: -
Fraction Unbound (Human): -
Plasma Protein Binding: -
Steady State Volume of Distribution: -

Metabolism

Breast Cancer Resistance Protein: -
CYP 1A2 Inhibitor: -
CYP 1A2 Substrate: -
CYP 2C19 Inhibitor: -
CYP 2C19 Substrate: -
CYP 2C9 Inhibitor: -
CYP 2C9 Substrate: -
CYP 2D6 Inhibitor: -
CYP 2D6 Substrate: -
CYP 3A4 Inhibitor: -
CYP 3A4 Substrate: -
OATP1B1: -
OATP1B3: -

Excretion

Clearance: -
Organic Cation Transporter 2: -
Half-Life of Drug: -

Toxicity

AMES Mutagenesis: -
Avian: -
Bee: -
Bioconcentration Factor: -
Biodegradation: -
Carcinogenesis: -
Crustacean: -
Liver Injury I (DILI): -
Eye Corrosion: -
Eye Irritation: -
Maximum Tolerated Dose: -
Liver Injury II: -
hERG Blockers: -
Daphnia Maga: -
Micronucleos: -
NR-AhR: -
NR-AR: -
NR-AR-LBD: -
NR-Aromatase: -
NR-ER: -
NR-ER-LBD: -
NR-GR: -
NR-PPAR-gamma: -
NR-TR: -
T. Pyriformis: -
Rat (Acute): -
Rat (Chronic Oral): -
Fathead Minnow: -
Respiratory Disease: -
Skin Sensitisation: -
SR-ARE: -
SR-ATAD5: -
SR-HSE: -
SR-MMP: -
SR-p53: -

General Properties

Boiling Point: -
Hydration Free Energy: -
Log(D) at pH=7.4: -
Log(P): -
Log S: -
Log(Vapor Pressure): -
Melting Point: -
pKa Acid: -
pKa Basic: -

No predicted protein targets found for this compound.

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