TPCN04518

Name Saponin 4;3?O????D?Glc?28?O????D?Glc medicagenic acid
Molecular Formula C42H66O16
Molecular Weight 826.97
CAS Registry Number 106074-96-8
SMILES CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C(=O)O)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Medicago hybrida Roots 0.083333% J Agric Food Chem 54, 2520-2526 (2006) 10.1021/jf0581628
Fabaceae Medicago sativa Whole plants 0.000376% J Food Biochem 43(8): e12955. 10.1111/jfbc.12955
Properties
HBA 16 HBD 10
HeavyAtoms 58 AlogP 0.35
TPSA 273.36 RotatableBonds 7
FractionCSP3 0.90 Rings 7
AromaticRings 0 AliphaticRings 7