TPCN05487
![[object Object]](../../static/browser_molecular_png/TPCN05487.png)
| Name | Polygalajaponicose I |
| Molecular Formula | C75H90O40 |
| Molecular Weight | 1631.51 |
| CAS Registry Number | 1033593-09-7 |
| SMILES | COc1cc(C=CC(=O)OCC2OC(OC3C(OC4(COC(=O)C=Cc5ccc(O)cc5)OC(CO)C(O)C4OC(=O)c4ccccc4)OC(CO)C(OC(=O)C=Cc4ccc(OC5OC(C)C(O)C(O)C5O)cc4)C3OC3OC(CO)C(OC(C)=O)C(OC4OC(COC(C)=O)C(O)C(O)C4O)C3O)C(O)C(O)C2O)ccc1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Polygalaceae | Polygala japonica | Roots | 0.000500% | Phytochemistry. 2008. 69, 1617-1624. | 10.1016/j.phytochem.2008.01.010 |
Properties
| HBA | 40 | HBD | 16 |
| HeavyAtoms | 115 | AlogP | -4.50 |
| TPSA | 592.24 | RotatableBonds | 30 |
| FractionCSP3 | 0.52 | Rings | 10 |
| AromaticRings | 4 | AliphaticRings | 6 |