TPCN04275
![[object Object]](../../static/browser_molecular_png/TPCN04275.png)
| Name | Antonioside A |
| Molecular Formula | C58H92O25 |
| Molecular Weight | 1189.35 |
| CAS Registry Number | 1220827-60-0 |
| SMILES | CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OC(CO)C(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC(O)C12CO |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Loganiaceae | Antonia ovata | Barks | 0.002545% | Phytochemistry 71(4): 429-434. | 10.1016/j.phytochem.2009.11.007 |
Properties
| HBA | 25 | HBD | 14 |
| HeavyAtoms | 83 | AlogP | -1.37 |
| TPSA | 400.43 | RotatableBonds | 14 |
| FractionCSP3 | 0.90 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |