TPCN06124

Name 3-O-[??-glucopyranosyl-(1??3)-??-glucopyranosyl]-28-O-[??-apiofuranosyl-(1??3)-??-rhamnopyranosyl-(1??2)- ??-arabinopyranoside] zanhic acid
Molecular Formula C58H92O29
Molecular Weight 1253.35
CAS Registry Number 849699-57-6
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)CC4O)OCC(O)C2O)C(O)C(OC2OCC(O)(CO)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Medicago truncatula Aerial parts 0.000700% J Agric Food Chem . 2005 Mar 23;53(6):2164-70 10.1021/jf048178i
Properties
HBA 29 HBD 17
HeavyAtoms 87 AlogP -4.90
TPSA 470.35 RotatableBonds 14
FractionCSP3 0.93 Rings 10
AromaticRings 0 AliphaticRings 10