TPCN00941
![[object Object]](../../static/browser_molecular_png/TPCN00941.png)
| Name | Vernolide D |
| Molecular Formula | C22H28O9 |
| Molecular Weight | 436.46 |
| CAS Registry Number | 919090-96-3 |
| SMILES | CC(=O)OCC1=C2C(=CC3(C)CCC(O)(O3)C(C)CC2OC(=O)C(C)=CCO)OC1=O |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Vernonia cinerea | Whole plants | 0.008600% | Chem Pharm Bull (Tokyo) 54(10): 1437-1439.(2006) | 10.1248/cpb.54.1437 |
Properties
| HBA | 9 | HBD | 2 |
| HeavyAtoms | 31 | AlogP | 1.43 |
| TPSA | 128.59 | RotatableBonds | 5 |
| FractionCSP3 | 0.59 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |