TPCN05700
![[object Object]](../../static/browser_molecular_png/TPCN05700.png)
| Name | Scoposides A |
| Molecular Formula | C53H86O21 |
| Molecular Weight | 1059.25 |
| CAS Registry Number | 1225053-62-2 |
| SMILES | CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OCC(O)C(O)C7O)C(C)(C)C6CCC5(C)C3(C)CC4)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caprifoliaceae | Cephalaria scoparia | Aerial parts | 0.005460% | J Nat Prod. 2010 May 28;73(5):825-30. | 10.1021/np900724u. |
Properties
| HBA | 21 | HBD | 12 |
| HeavyAtoms | 74 | AlogP | -0.37 |
| TPSA | 333.67 | RotatableBonds | 10 |
| FractionCSP3 | 0.94 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |