TPCN05118
![[object Object]](../../static/browser_molecular_png/TPCN05118.png)
| Name | Guaianin R |
| Molecular Formula | C58H92O25 |
| Molecular Weight | 1189.35 |
| CAS Registry Number | 691005-58-0 |
| SMILES | C=C1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(C)C(O)C(OC7OC(CO)C(O)C(OC8OC(C)C(O)C(O)C8O)C7O)C6O)C(C)(C)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Zygophyllaceae | Guaiacum officinale | Barks | 0.000370% | Nat Prod Res 18, 111-116 (2004). | 10.1080/1478641031000140866 |
Properties
| HBA | 25 | HBD | 14 |
| HeavyAtoms | 83 | AlogP | -1.99 |
| TPSA | 392.59 | RotatableBonds | 12 |
| FractionCSP3 | 0.91 | Rings | 10 |
| AromaticRings | 0 | AliphaticRings | 10 |