TPCN00871
![[object Object]](../../static/browser_molecular_png/TPCN00871.png)
| Name | Hierapolitanins B |
| Molecular Formula | C21H26O8 |
| Molecular Weight | 406.43 |
| CAS Registry Number | 934825-25-9 |
| SMILES | C=CC1(CO)CC(OC(=O)C(=C)CO)C2C(=C)C(=O)OC2C1C(=C)COC(C)=O |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Centaurea hierapolitana | Aerial parts | 0.022741% | Phytochemistry 68(5): 609-615.(2007) | 10.1016/j.phytochem.2006.10.013 |
Properties
| HBA | 8 | HBD | 2 |
| HeavyAtoms | 29 | AlogP | 0.85 |
| TPSA | 119.36 | RotatableBonds | 8 |
| FractionCSP3 | 0.48 | Rings | 2 |
| AromaticRings | 0 | AliphaticRings | 2 |