TPCN05003

Name Bacopaside ??
Molecular Formula C41H66O13
Molecular Weight 766.97
CAS Registry Number 620592-16-7
SMILES CC(C)=CC1COC23CC4(CO2)C(CCC2C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CCC24C)C3C1(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Plantaginaceae Bacopa monniera Aerial parts 0.001667% Chem Pharm Bull (Tokyo) 51, 215-217 (2003) 10.1248/cpb.51.215
Properties
HBA 13 HBD 7
HeavyAtoms 54 AlogP 2.00
TPSA 196.99 RotatableBonds 6
FractionCSP3 0.95 Rings 8
AromaticRings 0 AliphaticRings 8