TPCN04437

Name 3?O????D?Glc medicagenic acid;Saponin 3
Molecular Formula C36H56O11
Molecular Weight 664.83
CAS Registry Number 49792-23-6
SMILES CC1(C)CCC2(C(=O)O)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 0.093333% J Agric Food Chem 54, 2520-2526 (2006) 10.1021/jf0581628
Fabaceae Medicago sativa Whole plants 0.000637% J Food Biochem 43(8): e12955. 10.1111/jfbc.12955
Properties
HBA 11 HBD 7
HeavyAtoms 47 AlogP 3.09
TPSA 194.21 RotatableBonds 5
FractionCSP3 0.89 Rings 6
AromaticRings 0 AliphaticRings 6