TPCN04198
![[object Object]](../../static/browser_molecular_png/TPCN04198.png)
| Name | Squarroside A |
| Molecular Formula | C71H110O36 |
| Molecular Weight | 1539.63 |
| CAS Registry Number | 152574-91-9 |
| SMILES | CC(=O)OC1C(C)OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC4(C)C2(C)CC3)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C1OC1OC(CO)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caryophyllaceae | Acanthophyllum squarrosum | Roots | 0.016000% | Phytochemistry 34(2): 489-495. | 10.1016/0031-9422(93)80036-r |
Properties
| HBA | 36 | HBD | 17 |
| HeavyAtoms | 107 | AlogP | -4.75 |
| TPSA | 550.64 | RotatableBonds | 19 |
| FractionCSP3 | 0.92 | Rings | 12 |
| AromaticRings | 0 | AliphaticRings | 12 |