TPCN05237

Name Kudzusaponin SA1
Molecular Formula C42H68O15
Molecular Weight 812.99
CAS Registry Number 168288-04-8
SMILES CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Pueraria lobata Roots 0.000008% Chem Pharm Bull (Tokyo) 43, 1176-1179 (1995). 10.1248/cpb.43.1176
Properties
HBA 15 HBD 10
HeavyAtoms 57 AlogP 0.82
TPSA 256.29 RotatableBonds 7
FractionCSP3 0.93 Rings 7
AromaticRings 0 AliphaticRings 7