TPCN05240

Name Kudzusaponin A4
Molecular Formula C42H68O16
Molecular Weight 828.99
CAS Registry Number 179910-77-1
SMILES CC1(CO)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) 45, 362-366 (1997) 10.1248/cpb.45.362
Properties
HBA 16 HBD 11
HeavyAtoms 58 AlogP -0.20
TPSA 276.52 RotatableBonds 8
FractionCSP3 0.93 Rings 7
AromaticRings 0 AliphaticRings 7