TPCN05995
Name | 3-O-??-glucuronopyranosyl-28-O-[??-xylopyranosyl-(1??4)-??-rhamnopyranosyl-(1??2)-??-arabinopyranoside] medicagenic acid |
Molecular Formula | C52H80O24 |
Molecular Weight | 1089.19 |
CAS Registry Number | 128192-15-4 |
SMILES | CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(C(=O)O)C(O)C(O)C7O)C(C)(C(=O)O)C6CCC5(C)C3(C)CC4)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Fabaceae | Medicago truncatula | Aerial parts | 0.003733% | J Agric Food Chem . 2005 Mar 23;53(6):2164-70 | 10.1021/jf048178i |
Properties
HBA | 24 | HBD | 13 |
HeavyAtoms | 76 | AlogP | -1.60 |
TPSA | 388.04 | RotatableBonds | 10 |
FractionCSP3 | 0.90 | Rings | 9 |
AromaticRings | 0 | AliphaticRings | 9 |