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Chemical structure of Bacopaside V

GC35459

Bacopaside V

Also known as (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S)-3,5-dihydroxy-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

Bacopaside V is a bioactive triterpenoid glycoside of Bacopa monniera, a herb having confirmed nervine tonic activity

ChemicalCAS620592-16-7MW766.95FormulaC41H66O13
CAS number
620592-16-7
Molecular weight
766.95
Formula
C41H66O13
Solubility
Soluble in DMSO
InChIKey
RJDSARTZFIBDAR-HYXREVLBSA-N
Catalogue number
GC35459
Brand
GLPBIO
Computed properties PubChem CID 11072737 · XLogP 3 · TPSA 197 Ų · H-bond donors 7
XLogP
3
TPSA
197 Ų
H-bond donors
7
H-bond acceptors
13
Rotatable bonds
6
Heavy atoms
54

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)C)C

Computed descriptors from PubChem (CID 11072737), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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