TPCN02712
![[object Object]](../../static/browser_molecular_png/TPCN02712.png)
| Name | Vulgarisin A |
| Molecular Formula | C28H46O6 |
| Molecular Weight | 478.67 |
| CAS Registry Number | 1609001-81-1 |
| SMILES | CC(C)C(=O)OCC12C(O)C(OC(=O)C(C)C)C3(C)C4CCC(C)C4C3C1(O)CCC2C(C)C |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Lamiaceae | Prunella vulgaris | Whole plants | 0.000350% | Org Lett 16, 2696-2699 (2014). | 10.1021/ol5009763 |
Properties
| HBA | 6 | HBD | 2 |
| HeavyAtoms | 34 | AlogP | 4.21 |
| TPSA | 93.06 | RotatableBonds | 6 |
| FractionCSP3 | 0.93 | Rings | 4 |
| AromaticRings | 0 | AliphaticRings | 4 |