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Chemical structure of Bacopasaponin C

GC35456

Bacopasaponin C

Also known as (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,17R,20R)-16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Bacopasaponin C is an indigenous glycoside isolated from Bacopa monniera, with antitumor and anti-leishmanial activities

ChemicalCAS178064-13-6MW899.07FormulaC46H74O17
CAS number
178064-13-6
Molecular weight
899.07
Formula
C46H74O17
Solubility
Methanol： soluble
InChIKey
ZOFQVMPJZHCDBS-MUUHSGPCSA-N
Catalogue number
GC35456
Brand
GLPBIO
Computed properties PubChem CID 21599443 · XLogP 2 · TPSA 256 Ų · H-bond donors 9
XLogP
2
TPSA
256 Ų
H-bond donors
9
H-bond acceptors
17
Rotatable bonds
9
Heavy atoms
63

SMILES CC(=C[C@@H]1CO[C@]23C[C@]4(CO2)[C@@H]([C@H]3[C@@]1(C)O)CC[C@H]5[C@]4(CC[C@@H]6[C@@]5(CC[C@@H](C6(C)C)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](O9)CO)O)O)C)C)C

Computed descriptors from PubChem (CID 21599443), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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