ANPDB

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Diosgenin-3-O-Beta-D-glucopyranoside

Canonical Smiles	OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3(O4)CC[C@H](CO3)C)C)C2)C)C(C(C1O)O)O
InChI	InChI=1S/C33H52O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h5,17-18,20-30,34-37H,6-16H2,1-4H3/t17-,18?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?/m1/s1
InChIKey	WXMARHKAXWRNDM-ALEXZKRUSA-N
Formula	C₃₃H₅₂O₈
HBA	8
HBD	4
MW	576.77
Rotatable Bonds	3
TPSA	117.84
LogP	3.54
Number Rings	7
Number Aromatic Rings	0
Heavy Atom Count	41
Formal Charge	0
Fraction CSP3	0.94
Exact Mass	576.37
Number of Lipinski Rule Violations	1

#	Species	Family	Kingdom	NCBI Taxonomy ID
1	Raphia vinifera	Arecaceae	Plantae	1966430

Showing of synonyms

Chi GF, Sop RVT, et al. (2020). Steroidal saponins from Raphia vinifera and their cytotoxic activity. Steroids,2020, 163, 108724. [View] [PubMed]

No compound-protein relationship available.

SMILES: O1CCCCC12CC3C4C(CC3O2)C5C(CC4)C6C(=CC5)CC(CC6)OC7CCCCO7

Level: 1

Mol. Weight: 576.77 g/mol

SMILES: O1CCCCC12CC3C4C(CC3O2)C5C(CC4)C6C(=CC5)CCCC6

Level: 0

Mol. Weight: 576.77 g/mol

SMILES: C1CCOCC1

Level: 0

Mol. Weight: 576.77 g/mol

No bioactivities available.

Absorption

Protein Name	UniProt ID	Entry Name	Species	#Pharmacophore Points	Probability (0.7 ≤ Tversky Score ≤ 1.0)
Aldos-2-ulose dehydratase	P84193	AUD_PHACH	Phanerodontia chrysosporium	3	0.8327
Serpin domain-containing protein	H0ZQY2	H0ZQY2_TAEGU	Taeniopygia guttata	3	0.7795