TPCN04319

Name Acanthopanaxoside E
Molecular Formula C42H66O15
Molecular Weight 810.98
CAS Registry Number 951693-60-0
SMILES CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Araliaceae Acanthopanax senticosus Fruits 0.001799% Chem Pharm Bull (Tokyo) 55(7): 1087-1089. 10.1248/cpb.55.1087
Asteraceae Calendula stellata Whole plants 0.001148% Phytochemistry 144: 33-42. 10.1016/j.phytochem.2017.08.015
Properties
HBA 15 HBD 9
HeavyAtoms 57 AlogP 1.38
TPSA 253.13 RotatableBonds 6
FractionCSP3 0.90 Rings 7
AromaticRings 0 AliphaticRings 7