TPCN01317
![[object Object]](../../static/browser_molecular_png/TPCN01317.png)
| Name | Orbiculin B |
| Molecular Formula | C29H34O8 |
| Molecular Weight | 510.58 |
| CAS Registry Number | 227450-66-0 |
| SMILES | CC(=O)OC1CCC(C)C23OC(C)(C)C(CC(OC(=O)c4ccccc4)C12C)C3OC(=O)c1ccoc1 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rutaceae | Celastrus orbiculatus | Roots | 0.000750% | J Nat Prod 62(5): 697-700.(1999) | 10.1021/np9804379 |
Properties
| HBA | 8 | HBD | 0 |
| HeavyAtoms | 37 | AlogP | 4.97 |
| TPSA | 101.27 | RotatableBonds | 5 |
| FractionCSP3 | 0.55 | Rings | 5 |
| AromaticRings | 2 | AliphaticRings | 3 |