TPCN04828

Name 3-O-??-glucuronopyranosyl-28-O-??-glucopyranoside medicagenic acid;Saponin 12
Molecular Formula C42H64O17
Molecular Weight 840.96
CAS Registry Number 849699-60-1
SMILES CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(C(=O)O)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 0.053333% J Agric Food Chem 54, 2520-2526 (2006) 10.1021/jf0581628
Fabaceae Medicago truncatula Aerial parts 0.001067% J Agric Food Chem . 2005 Mar 23;53(6):2164-70 10.1021/jf048178i
Properties
HBA 17 HBD 10
HeavyAtoms 59 AlogP 0.44
TPSA 290.43 RotatableBonds 7
FractionCSP3 0.88 Rings 7
AromaticRings 0 AliphaticRings 7