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Chemical structure of Soyasaponin IV

GC61285

Soyasaponin IV

Also known as (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid

Soyasaponin IV, isolated from the aerial parts of Glycine soya, exhibits a hepatoprotective action

ChemicalCAS108906-97-4MW766.95FormulaC41H66O13
CAS number
108906-97-4
Molecular weight
766.95
Formula
C41H66O13
InChIKey
LASVNNIDKPXXMG-AOTOZEHFSA-N
Catalogue number
GC61285
Brand
GLPBIO
Computed properties PubChem CID 24721354 · XLogP 3.5 · TPSA 216 Ų · H-bond donors 8
XLogP
3.5
TPSA
216 Ų
H-bond donors
8
H-bond acceptors
13
Rotatable bonds
6
Heavy atoms
54

SMILES C[C@]12CC[C@@H]([C@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(C[C@H]5O)(C)C)C)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O)O

Computed descriptors from PubChem (CID 24721354), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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