TPCN01409
![[object Object]](../../static/browser_molecular_png/TPCN01409.png)
| Name | Orbiculin E |
| Molecular Formula | C31H36O10 |
| Molecular Weight | 568.62 |
| CAS Registry Number | 227450-69-3 |
| SMILES | CC(=O)OC1CC(C)C23OC(C)(C)C(CC(OC(=O)c4ccccc4)C2(C)C1OC(C)=O)C3OC(=O)c1ccoc1 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Compositae | Celastrus orbiculatus | Roots | 0.000525% | J Nat Prod 62(5): 697-700.(1999) | 10.1021/np9804379 |
Properties
| HBA | 10 | HBD | 0 |
| HeavyAtoms | 41 | AlogP | 4.51 |
| TPSA | 127.57 | RotatableBonds | 6 |
| FractionCSP3 | 0.55 | Rings | 5 |
| AromaticRings | 2 | AliphaticRings | 3 |