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Chemical structure of Soyasaponin Aa

GC37670

Soyasaponin Aa

Also known as 5-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[9-[3,5-dihydroxy-4-(3,4,5-triacetyloxyoxan-2-yl)oxyoxan-2-yl]oxy-10-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-dihydroxyoxane-2-carboxylic acid

Soyasaponin Aa is a soyasaponin that exerts an anti-obesity effect in 3T3-L1 adipocytes through downregulation of peroxisome proliferator-activated receptor γ (PPARγ)

ChemicalCAS117230-33-8MW1365.46FormulaC64H100O31
CAS number
117230-33-8
Molecular weight
1365.46
Formula
C64H100O31
Solubility
Soluble in DMSO
InChIKey
KBGJRGWLUHSDLW-UHFFFAOYSA-N
Catalogue number
GC37670
Brand
GLPBIO
Computed properties PubChem CID 14186205 · XLogP -0.6 · TPSA 471 Ų · H-bond donors 14
XLogP
-0.6
TPSA
471 Ų
H-bond donors
14
H-bond acceptors
31
Rotatable bonds
20
Heavy atoms
95

SMILES CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)OC2C(COC(C2O)OC3C(C(CC4C3(CCC5(C4=CCC6C5(CCC7C6(CCC(C7(C)CO)OC8C(C(C(C(O8)C(=O)O)O)O)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)CO)O)O)O)C)C)C)C)(C)C)O)O

Computed descriptors from PubChem (CID 14186205), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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