TPCN06038

Name 3-O-[??-glucopyranosyl-(1??3)-??-glucopyranosyl]-28-O-[??-rhamnopyranosyl-(1??2)-??-arabinopyranoside] medicagenic acid
Molecular Formula C53H84O24
Molecular Weight 1105.23
CAS Registry Number 849699-65-6
SMILES CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(C)(C(=O)O)C6CCC5(C)C3(C)CC4)OCC(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Medicago truncatula Aerial parts 0.002133% J Agric Food Chem . 2005 Mar 23;53(6):2164-70 10.1021/jf048178i
Properties
HBA 24 HBD 14
HeavyAtoms 77 AlogP -2.33
TPSA 391.20 RotatableBonds 11
FractionCSP3 0.92 Rings 9
AromaticRings 0 AliphaticRings 9