TPCN04981
![[object Object]](../../static/browser_molecular_png/TPCN04981.png)
| Name | Symphytoxide-A |
| Molecular Formula | C47H76O18 |
| Molecular Weight | 929.11 |
| CAS Registry Number | 149475-29-6 |
| SMILES | CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Boraginaceae | Symphytum officinale | Roots | 0.002667% | Phytochemistry 32, 1003-1006 (1993) | 10.1016/0031-9422(93)85244-l |
Properties
| HBA | 18 | HBD | 11 |
| HeavyAtoms | 65 | AlogP | 0.32 |
| TPSA | 294.98 | RotatableBonds | 10 |
| FractionCSP3 | 0.94 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |