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 |