TPCN06174

Name Wistariasaponin B3
Molecular Formula C53H86O23
Molecular Weight 1091.25
CAS Registry Number 167324-11-0
SMILES CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(COC8OC(CO)C(O)C(O)C8O)CC(O)C7(C)CCC56C)C4(C)CO)OC(C(=O)O)C(O)C3O)OCC(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Wisteria villosa Stems 0.000390% Chem Pharm Bull (Tokyo) . 1995 Apr;43(4):636-40 10.1248/cpb.43.636
Properties
HBA 23 HBD 14
HeavyAtoms 76 AlogP -1.86
TPSA 374.13 RotatableBonds 12
FractionCSP3 0.94 Rings 9
AromaticRings 0 AliphaticRings 9