TPCN06099

Name 3-O-??-glucopyranosyl-28-O-[??-xylopyranosyl-(1??4)-??-rhamnopyranosyl-(1??2)-??-arabinopyranoside] medicagenic acid
Molecular Formula C52H82O23
Molecular Weight 1075.21
CAS Registry Number 120039-30-7
SMILES CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(CO)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 0.000900% J Agric Food Chem . 2005 Mar 23;53(6):2164-70 10.1021/jf048178i
Properties
HBA 23 HBD 13
HeavyAtoms 75 AlogP -1.69
TPSA 370.97 RotatableBonds 10
FractionCSP3 0.92 Rings 9
AromaticRings 0 AliphaticRings 9