TPCN02139
![[object Object]](../../static/browser_molecular_png/TPCN02139.png)
| Name | Isoscaberol A |
| Molecular Formula | C16H20O6 |
| Molecular Weight | 308.33 |
| CAS Registry Number | 2738377-09-6 |
| SMILES | COCC1C(=O)OC2CC3=CC(CC(C)=CC(O)C21)OC3=O |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Elephantopus scaber | Whole plants | 0.000020% | Bioorganic Chemistry 104, (2020). | 10.1016/j.bioorg.2020.104314 |
Properties
| HBA | 6 | HBD | 1 |
| HeavyAtoms | 22 | AlogP | 0.74 |
| TPSA | 82.06 | RotatableBonds | 2 |
| FractionCSP3 | 0.63 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |