TPCN06027
![[object Object]](../../static/browser_molecular_png/TPCN06027.png)
| Name | Guaiacin A |
| Molecular Formula | C46H72O17 |
| Molecular Weight | 897.07 |
| CAS Registry Number | 122398-15-6 |
| SMILES | C=C1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Zygophyllaceae | Larrea tridentata | Aerial parts | 0.002513% | Phytochemistry . 2010 Dec;71(17-18):2157-67 | 10.1016/j.phytochem.2010.09.012 |
Properties
| HBA | 17 | HBD | 10 |
| HeavyAtoms | 63 | AlogP | 0.31 |
| TPSA | 274.75 | RotatableBonds | 8 |
| FractionCSP3 | 0.89 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |