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16-O-alpha-L-arabinopyranosyl-6alpha,16alpha,20beta,21alpha-tetrahydroxytetrahymanol

Canonical Smiles	O[C@@H]1COC([C@H]([C@@H]1O)O)O[C@@H]1C[C@]2(C)[C@@H](C3[C@@H]1C(C)(C)[C@H]([C@@H](C3)O)O)CC[C@H]1[C@@]2(C)C[C@H](O)C2[C@]1(C)CC[C@@H](C2(C)C)O
InChI	InChI=1S/C34H58O9/c1-30(2)23(38)10-11-32(5)22-9-8-17-16-12-18(35)28(41)31(3,4)24(16)21(43-29-26(40)25(39)20(37)15-42-29)14-33(17,6)34(22,7)13-19(36)27(30)32/h16-29,35-41H,8-15H2,1-7H3/t16?,17-,18-,19+,20-,21-,22-,23+,24+,25-,26+,27?,28+,29?,32-,33-,34-/m1/s1
InChIKey	BTORCKHVCDXYBI-PNPHUNEYSA-N
Formula	C₃₄H₅₈O₉
HBA	9
HBD	7
MW	610.83
Rotatable Bonds	2
TPSA	160.07
LogP	2.21
Number Rings	6
Number Aromatic Rings	0
Heavy Atom Count	43
Formal Charge	0
Fraction CSP3	1.0
Exact Mass	610.41
Number of Lipinski Rule Violations	2

#	Species	Family	Kingdom	NCBI Taxonomy ID
1	Spergula fallax	Caryophyllaceae	Plantae	1423401

Showing of synonyms

Hamed AI, Masullo M, et al. (2014). Unusual fernane and gammacerane glycosides from the aerial parts of Spergula fallax. Journal of Natural Products,2014,77(3),657-662. [View] [PubMed]

Nmrshiftdb2: 70085816

No compound-protein relationship available.

SMILES: C1CCCC(CC2)C1C(C2C34)CCC3C5C(CCCC5)C(C4)OC6CCCCO6

Level: 1

Mol. Weight: 610.83 g/mol

SMILES: C1CCCC(CC2)C1C(C2C34)CCC3C5C(CC4)CCCC5

Level: 0

Mol. Weight: 610.83 g/mol

SMILES: C1CCOCC1

Level: 0

Mol. Weight: 610.83 g/mol

No bioactivities available.

Absorption

Protein Name	UniProt ID	Entry Name	Species	#Pharmacophore Points	Probability (0.7 ≤ Tversky Score ≤ 1.0)
S-adenosylmethionine decarboxylase proenzyme	P17707	DCAM_HUMAN	Homo sapiens	3	0.8167
S-adenosylmethionine decarboxylase proenzyme	P17707	DCAM_HUMAN	Homo sapiens	3	0.8167