TPCN05690

Name Bacopaside A3
Molecular Formula C47H76O18
Molecular Weight 929.11
CAS Registry Number 157408-08-7
SMILES CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C6O)C(C)(C)C5CCC4(C)C34COC2(C4)O1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Plantaginaceae Bacopa monnieri Whole plants 0.012000% Phytochemistry. 2005 Dec;66(23):2719-28. 10.1016/j.phytochem.2005.09.016.
Properties
HBA 18 HBD 10
HeavyAtoms 65 AlogP -0.03
TPSA 276.14 RotatableBonds 10
FractionCSP3 0.96 Rings 9
AromaticRings 0 AliphaticRings 9