TPCN04522

Name Hederagenin 28-O-??-D-glucopyranoside
Molecular Formula C36H58O9
Molecular Weight 634.85
CAS Registry Number 53931-25-2
SMILES CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Araliaceae Acanthopanax senticosus Fruits 0.000360% Chem Pharm Bull (Tokyo) 55(7): 1087-1089. 10.1248/cpb.55.1087
Properties
HBA 9 HBD 6
HeavyAtoms 45 AlogP 3.46
TPSA 156.91 RotatableBonds 4
FractionCSP3 0.92 Rings 6
AromaticRings 0 AliphaticRings 6