TPCN05684

Name Bacopaside N1
Molecular Formula C42H68O14
Molecular Weight 796.99
CAS Registry Number 871706-74-0
SMILES CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CCC4(C)C34COC2(C4)O1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Plantaginaceae Bacopa monnieri Whole plants 0.013333% Phytochemistry. 2005 Dec;66(23):2719-28. 10.1016/j.phytochem.2005.09.016.
Properties
HBA 14 HBD 8
HeavyAtoms 56 AlogP 1.50
TPSA 217.22 RotatableBonds 7
FractionCSP3 0.95 Rings 8
AromaticRings 0 AliphaticRings 8