TPCN05668

Name Bacopaside II
Molecular Formula C47H76O18
Molecular Weight 929.11
CAS Registry Number 382146-66-9
SMILES CC(C)=CC1COC23CC4(CO2)C(CCC2C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C6O)C(C)(C)C5CCC24C)C3C1(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Plantaginaceae Bacopa monnieri Whole plants 0.053333% Phytochemistry. 2005 Dec;66(23):2719-28. 10.1016/j.phytochem.2005.09.016.
Properties
HBA 18 HBD 10
HeavyAtoms 65 AlogP -0.18
TPSA 276.14 RotatableBonds 10
FractionCSP3 0.96 Rings 9
AromaticRings 0 AliphaticRings 9