TPCN02674
![[object Object]](../../static/browser_molecular_png/TPCN02674.png)
| Name | Viteagnusin I |
| Molecular Formula | C22H34O6 |
| Molecular Weight | 394.51 |
| CAS Registry Number | 1345994-66-2 |
| SMILES | CC(=O)OC1CC(C)C(O)(CCC2=CC(=O)OC2O)C2(C)CCCC(C)(C)C12 |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Verbenaceae | Vitex agnus-castus | Fruits | 0.000401% | Chem Pharm Bull (Tokyo) 59, 392-396 (2011). | 10.1248/cpb.59.392 |
Properties
| HBA | 6 | HBD | 2 |
| HeavyAtoms | 28 | AlogP | 3.10 |
| TPSA | 93.06 | RotatableBonds | 4 |
| FractionCSP3 | 0.82 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |