TPCN05962

Name 3-O-[??-glucopyranosyl-(1??3)-??-glucopyranosyl]-28-O-{??-xylopyranosyl-(1??4)-[??-arabinopyranosyl-(1??3)]-??-rhamnopyranosyl-(1??2)-??-arabinopyranoside} medicagenic acid
Molecular Formula C63H100O32
Molecular Weight 1369.46
CAS Registry Number 849699-66-7
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(OC2OCC(O)C(O)C2O)C1OC1OCC(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Medicago truncatula Aerial parts 0.006600% J Agric Food Chem . 2005 Mar 23;53(6):2164-70 10.1021/jf048178i
Properties
HBA 32 HBD 18
HeavyAtoms 95 AlogP -5.41
TPSA 509.04 RotatableBonds 15
FractionCSP3 0.94 Rings 11
AromaticRings 0 AliphaticRings 11