TPCN00547
![[object Object]](../../static/browser_molecular_png/TPCN00547.png)
| Name | 10-O-(4????-O-Methylsuccinoyl)geniposide |
| Molecular Formula | C22H30O13 |
| Molecular Weight | 502.47 |
| CAS Registry Number | 1399831-50-5 |
| SMILES | COC(=O)CCC(=O)OCC1=CCC2C(C(=O)OC)=COC(OC3OC(CO)C(O)C(O)C3O)C12 |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rubiaceae | Gardeniae fructus | Fruits | 0.000147% | Chem Biodivers, 2012, 9, 1490-1505. | 10.1002/cbdv.201200030 |
Properties
| HBA | 13 | HBD | 4 |
| HeavyAtoms | 35 | AlogP | -1.73 |
| TPSA | 187.51 | RotatableBonds | 9 |
| FractionCSP3 | 0.68 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |