TPCN05995

Name 3-O-??-glucuronopyranosyl-28-O-[??-xylopyranosyl-(1??4)-??-rhamnopyranosyl-(1??2)-??-arabinopyranoside] medicagenic acid
Molecular Formula C52H80O24
Molecular Weight 1089.19
CAS Registry Number 128192-15-4
SMILES CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(C(=O)O)C(O)C(O)C7O)C(C)(C(=O)O)C6CCC5(C)C3(C)CC4)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Medicago truncatula Aerial parts 0.003733% J Agric Food Chem . 2005 Mar 23;53(6):2164-70 10.1021/jf048178i
Properties
HBA 24 HBD 13
HeavyAtoms 76 AlogP -1.60
TPSA 388.04 RotatableBonds 10
FractionCSP3 0.90 Rings 9
AromaticRings 0 AliphaticRings 9