TPCN05750
![[object Object]](../../static/browser_molecular_png/TPCN05750.png)
| Name | Scoposides E |
| Molecular Formula | C46H74O15 |
| Molecular Weight | 867.08 |
| CAS Registry Number | 61618-53-9 |
| SMILES | CC1OC(OC2C(O)COC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)C)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caprifoliaceae | Cephalaria scoparia | Aerial parts | 0.000939% | J Nat Prod. 2010 May 28;73(5):825-30. | 10.1021/np900724u. |
Properties
| HBA | 15 | HBD | 8 |
| HeavyAtoms | 61 | AlogP | 3.01 |
| TPSA | 234.29 | RotatableBonds | 7 |
| FractionCSP3 | 0.93 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |