TPCN00539
![[object Object]](../../static/browser_molecular_png/TPCN00539.png)
| Name | 6??-O-sinapoylgeniposide |
| Molecular Formula | C28H34O14 |
| Molecular Weight | 594.57 |
| CAS Registry Number | 1012306-66-9 |
| SMILES | COC(=O)C1=COC(OC2OC(COC(=O)C=Cc3cc(OC)c(O)c(OC)c3)C(O)C(O)C2O)C2C(CO)=CCC12 |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rubiaceae | Gardeniae fructus | Fruits | 0.000150% | Chem Biodivers, 2012, 9, 1490-1502. | 10.1002/cbdv.201200030 |
Properties
| HBA | 14 | HBD | 5 |
| HeavyAtoms | 42 | AlogP | -0.24 |
| TPSA | 199.90 | RotatableBonds | 10 |
| FractionCSP3 | 0.50 | Rings | 4 |
| AromaticRings | 1 | AliphaticRings | 3 |