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Chemical structure of Soyasaponin III

GC39182

Soyasaponin III

Also known as (2S,3R,4S,5R,6R)-6-[[(6aR,6bS,8aR,9S,12aR,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,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid

Soyasaponin III, a monodesmodic oleanane triterpenoid, is one of the main potentially bioactive saponins found in soy (Glycine max) and related products· Soyasaponin III can induce apoptosis in Hep-G2 cells

ChemicalCAS55304-02-4MW796.98FormulaC42H68O14
CAS number
55304-02-4
Molecular weight
796.98
Formula
C42H68O14
Solubility
Soluble in DMSO
InChIKey
OKIHRVKXRCAJFQ-ZYNCYBBUSA-N
Catalogue number
GC39182
Brand
GLPBIO
Computed properties PubChem CID 171432 · XLogP 3.5 · TPSA 236 Ų · H-bond donors 9
XLogP
3.5
TPSA
236 Ų
H-bond donors
9
H-bond acceptors
14
Rotatable bonds
7
Heavy atoms
56

SMILES C[C@@]12CC[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CCC(C5(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]([C@H](O7)CO)O)O)O)C)C)[C@H]1CC(C[C@@H]2O)(C)C)C

Computed descriptors from PubChem (CID 171432), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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