TPCN05560
![[object Object]](../../static/browser_molecular_png/TPCN05560.png)
| Name | Rotundinoside A |
| Molecular Formula | C47H76O18 |
| Molecular Weight | 929.11 |
| CAS Registry Number | 1844852-16-9 |
| SMILES | CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Aquifoliaceae | Ilex rotunda | Barks | 0.000150% | Fitoterapia. 2015. 101, 19-26. | 10.1016/j.fitote.2014.11.007 |
Properties
| HBA | 18 | HBD | 11 |
| HeavyAtoms | 65 | AlogP | -0.25 |
| TPSA | 294.98 | RotatableBonds | 8 |
| FractionCSP3 | 0.94 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |