TPCN02386
![[object Object]](../../static/browser_molecular_png/TPCN02386.png)
| Name | Viteagnuside A |
| Molecular Formula | C26H42O9 |
| Molecular Weight | 498.61 |
| CAS Registry Number | 1401711-97-4 |
| SMILES | CC1CCC2C(C)(C)C(OC3OC(CO)C(O)C(O)C3O)CCC2(C)C1(O)CCC1=CCOC1=O |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Verbenaceae | Vitex agnus-castus | Fruits | 0.001856% | Chem Pharm Bull (Tokyo) 59, 392-396 (2011). | 10.1248/cpb.59.392 |
Properties
| HBA | 9 | HBD | 5 |
| HeavyAtoms | 35 | AlogP | 1.04 |
| TPSA | 145.91 | RotatableBonds | 6 |
| FractionCSP3 | 0.88 | Rings | 4 |
| AromaticRings | 0 | AliphaticRings | 4 |