TPCN04966
![[object Object]](../../static/browser_molecular_png/TPCN04966.png)
| Name | Scabrioside A |
| Molecular Formula | C47H76O18 |
| Molecular Weight | 929.11 |
| CAS Registry Number | 199998-33-9 |
| SMILES | CC1CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1(C)O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caprifoliaceae | Lomelosia rotata | Roots | 0.003267% | Phytochemistry 48, 867-873 (1998) | 10.1016/s0031-9422(97)00982-5 |
Properties
| HBA | 18 | HBD | 11 |
| HeavyAtoms | 65 | AlogP | -0.25 |
| TPSA | 294.98 | RotatableBonds | 8 |
| FractionCSP3 | 0.94 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |