TPCN03044
![[object Object]](../../static/browser_molecular_png/TPCN03044.png)
| Name | Caffarolide D |
| Molecular Formula | C36H58O7 |
| Molecular Weight | 602.85 |
| CAS Registry Number | 2231781-66-9 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC1(O)CC23CCC4C5=CC(=O)OC5(O)CC(O)C4(C)C2CCC1C3 |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rubiaceae | Coffea arabica | Seeds | 0.000090% | Food Chem 263, 251-257 (2018). | 10.1016/j.foodchem.2018.04.081 |
Properties
| HBA | 7 | HBD | 3 |
| HeavyAtoms | 43 | AlogP | 6.90 |
| TPSA | 113.29 | RotatableBonds | 16 |
| FractionCSP3 | 0.89 | Rings | 5 |
| AromaticRings | 0 | AliphaticRings | 5 |