TPCN04845
![[object Object]](../../static/browser_molecular_png/TPCN04845.png)
| Name | Paphlagonoside A |
| Molecular Formula | C47H76O18 |
| Molecular Weight | 929.11 |
| CAS Registry Number | 1256724-25-0 |
| SMILES | CC1(C)CCC2(C(=O)OC3OC(CO)C(OC4OCC(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caprifoliaceae | Cephalaria paphlagonica | Aerial parts | 0.028830% | Nat Prod Res 24, 1337-1346 (2010) | 10.1080/14786410903381335 |
Properties
| HBA | 18 | HBD | 11 |
| HeavyAtoms | 65 | AlogP | -0.25 |
| TPSA | 294.98 | RotatableBonds | 9 |
| FractionCSP3 | 0.94 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |