TPCN03063
![[object Object]](../../static/browser_molecular_png/TPCN03063.png)
| Name | Grayanotoxins I |
| Molecular Formula | C22H36O7 |
| Molecular Weight | 412.52 |
| CAS Registry Number | 4720-09-6 |
| SMILES | CC(=O)OC1C2CCC3C(C)(O)C4CC(O)C(C)(C)C4(O)C(O)CC13CC2(C)O |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Ericaceae | Rhododendron micranthum | Leaves | 0.000080% | Phytochemistry 158, 1-12 (2019). | 10.1016/j.phytochem.2018.10.017 |
Properties
| HBA | 7 | HBD | 5 |
| HeavyAtoms | 29 | AlogP | 0.74 |
| TPSA | 127.45 | RotatableBonds | 1 |
| FractionCSP3 | 0.95 | Rings | 4 |
| AromaticRings | 0 | AliphaticRings | 4 |