TPCN04614

Name 3?O?[???D?Glc(1, 2)????L?Ara]?28?O????D?Glc hederagenin
Molecular Formula C47H76O18
Molecular Weight 929.11
CAS Registry Number 141492-08-2
SMILES CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Medicago sativa Whole plants 0.000184% J Food Biochem 43(8): e12955. 10.1111/jfbc.12955
Properties
HBA 18 HBD 11
HeavyAtoms 65 AlogP -0.25
TPSA 294.98 RotatableBonds 9
FractionCSP3 0.94 Rings 8
AromaticRings 0 AliphaticRings 8