TPCN01174
![[object Object]](../../static/browser_molecular_png/TPCN01174.png)
| Name | Hemistepsin A |
| Molecular Formula | C19H22O6 |
| Molecular Weight | 346.38 |
| CAS Registry Number | 208449-03-0 |
| SMILES | C=C(CO)C(=O)OC1C2C(=C)C(=O)OC2CC(=C)C2CC(O)C(=C)C21 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Centaurea ragusina | Leaves | 0.001578% | Front Pharmacol 9: 972.(2018) | 10.3389/fphar.2018.00972 |
Properties
| HBA | 6 | HBD | 2 |
| HeavyAtoms | 25 | AlogP | 1.06 |
| TPSA | 93.06 | RotatableBonds | 3 |
| FractionCSP3 | 0.47 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |