TPCN02975
![[object Object]](../../static/browser_molecular_png/TPCN02975.png)
| Name | Grayanotoxin XXII |
| Molecular Formula | C23H36O6 |
| Molecular Weight | 408.54 |
| CAS Registry Number | 1252585-86-6 |
| SMILES | CCC(=O)OC1C2CCC3C(C)=CCC(O)C(C)(C)C(=O)C(O)CC31CC2(C)O |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Ericaceae | Pieris formosa | Flowers | 0.000127% | J Asian Nat Prod Res 12, 70-75 (2010). | 10.1080/10286020903436519 |
Properties
| HBA | 6 | HBD | 3 |
| HeavyAtoms | 29 | AlogP | 2.53 |
| TPSA | 104.06 | RotatableBonds | 2 |
| FractionCSP3 | 0.83 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |