TPCN01377
![[object Object]](../../static/browser_molecular_png/TPCN01377.png)
| Name | Vernchinilides A |
| Molecular Formula | C21H27ClO9 |
| Molecular Weight | 458.89 |
| CAS Registry Number | 883872-64-8 |
| SMILES | CC(=O)OCC1=C2C(=CC3(C)CCC(O)(O3)C(C)CC2OC(=O)C(C)(O)CCl)OC1=O |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Vernonia chinensis | Whole plants | 0.000600% | Planta Med 71(10): 949-954.（2005） | 10.1055/s-2005-871212 |
Properties
| HBA | 9 | HBD | 2 |
| HeavyAtoms | 31 | AlogP | 1.49 |
| TPSA | 128.59 | RotatableBonds | 5 |
| FractionCSP3 | 0.67 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |