TPCN06038
Name | 3-O-[??-glucopyranosyl-(1??3)-??-glucopyranosyl]-28-O-[??-rhamnopyranosyl-(1??2)-??-arabinopyranoside] medicagenic acid |
Molecular Formula | C53H84O24 |
Molecular Weight | 1105.23 |
CAS Registry Number | 849699-65-6 |
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)CC4)OCC(O)C2O)C(O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Fabaceae | Medicago truncatula | Aerial parts | 0.002133% | J Agric Food Chem . 2005 Mar 23;53(6):2164-70 | 10.1021/jf048178i |
Properties
HBA | 24 | HBD | 14 |
HeavyAtoms | 77 | AlogP | -2.33 |
TPSA | 391.20 | RotatableBonds | 11 |
FractionCSP3 | 0.92 | Rings | 9 |
AromaticRings | 0 | AliphaticRings | 9 |