TPCN04728
![[object Object]](../../static/browser_molecular_png/TPCN04728.png)
| Name | Clethroidoside E |
| Molecular Formula | C55H90O22 |
| Molecular Weight | 1103.30 |
| CAS Registry Number | 1335200-68-4 |
| SMILES | CC(=O)OCC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC46OCC7(CCC(C)(C)CC74)C(O)CC56C)C3(C)C)OCC(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Primulaceae | Lysimachia clethroides | Aerial parts | 0.000080% | J Nat Prod 74(10): 2128-2136. | 10.1021/np2004038 |
Properties
| HBA | 22 | HBD | 11 |
| HeavyAtoms | 77 | AlogP | -0.11 |
| TPSA | 331.90 | RotatableBonds | 11 |
| FractionCSP3 | 0.98 | Rings | 10 |
| AromaticRings | 0 | AliphaticRings | 10 |