TPCN05689
![[object Object]](../../static/browser_molecular_png/TPCN05689.png)
| Name | Scoposides B |
| Molecular Formula | C64H104O30 |
| Molecular Weight | 1353.51 |
| CAS Registry Number | 1225053-63-3 |
| SMILES | CC1OC(OC2C(CO)OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CCC45C)C3(C)C)C(O)C2O)C(O)C(OC2OCC(OC3OCC(O)C(O)C3O)C(O)C2O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caprifoliaceae | Cephalaria scoparia | Aerial parts | 0.012454% | J Nat Prod. 2010 May 28;73(5):825-30. | 10.1021/np900724u. |
Properties
| HBA | 30 | HBD | 17 |
| HeavyAtoms | 94 | AlogP | -4.08 |
| TPSA | 471.74 | RotatableBonds | 15 |
| FractionCSP3 | 0.95 | Rings | 11 |
| AromaticRings | 0 | AliphaticRings | 11 |