TPCN05993

Name 3-O-[??-glucopyranosyl-(1??3)-??-glucopyranosyl]-28-O-{??-xylopyranosyl-(1??4)-[??-apiofuranosyl-(1??3)]-??-rhamnopyranosyl-(1??2)-??-arabinopyranoside} zanhic acid
Molecular Formula C63H100O33
Molecular Weight 1385.46
CAS Registry Number 849699-61-2
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)CC4O)OCC(O)C2O)C(O)C(OC2OCC(O)(CO)C2O)C1OC1OCC(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Medicago truncatula Aerial parts 0.003833% J Agric Food Chem . 2005 Mar 23;53(6):2164-70 10.1021/jf048178i
Properties
HBA 33 HBD 19
HeavyAtoms 96 AlogP -6.43
TPSA 529.27 RotatableBonds 16
FractionCSP3 0.94 Rings 11
AromaticRings 0 AliphaticRings 11