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 |