TPCN03072
![[object Object]](../../static/browser_molecular_png/TPCN03072.png)
| Name | Gaditanone |
| Molecular Formula | C35H44O11 |
| Molecular Weight | 640.73 |
| CAS Registry Number | 2112808-98-5 |
| SMILES | CC(=O)OC1C(=O)C2(C)C3C(C(C)C(OC(C)=O)C4(OC(C)=O)CC(C)C(OC(C)=O)C34)C2C(C)(C)C1OC(=O)c1ccccc1 |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Euphorbiaceae | Euphorbia gaditana | Aerial parts | 0.000078% | J Nat Prod 80, 2161-2165 (2017). | 10.1021/acs.jnatprod.7b00332 |
Properties
| HBA | 11 | HBD | 0 |
| HeavyAtoms | 46 | AlogP | 4.09 |
| TPSA | 148.57 | RotatableBonds | 6 |
| FractionCSP3 | 0.66 | Rings | 5 |
| AromaticRings | 1 | AliphaticRings | 4 |