TPCN05330

Name Bacopasaponin B
Molecular Formula C40H64O12
Molecular Weight 736.94
CAS Registry Number 178064-12-5
SMILES CC(C)=CC1COC23CC4(CO2)C(CCC2C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C6O)C(C)(C)C5CCC24C)C3C1(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Scrophulariaceae Bacopa monniera Leaves 0.004143% Phytochemistry. 1996. 42, 815-820. 10.1016/0031-9422(95)00936-1.
Properties
HBA 12 HBD 6
HeavyAtoms 52 AlogP 2.64
TPSA 176.76 RotatableBonds 6
FractionCSP3 0.95 Rings 8
AromaticRings 0 AliphaticRings 8