TPCN06279

Name Wistariasaponin A3
Molecular Formula C48H76O20
Molecular Weight 973.12
CAS Registry Number 167324-13-2
SMILES CC1(COC2OC(CO)C(O)C(O)C2O)CC(=O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Wisteria villosa Stems 0.000070% Chem Pharm Bull (Tokyo) . 1995 Apr;43(4):636-40 10.1248/cpb.43.636
Properties
HBA 20 HBD 12
HeavyAtoms 68 AlogP -1.14
TPSA 332.28 RotatableBonds 11
FractionCSP3 0.92 Rings 8
AromaticRings 0 AliphaticRings 8