TPCN00435
![[object Object]](../../static/browser_molecular_png/TPCN00435.png)
| Name | 6??-O-sinapoyljasminoside |
| Molecular Formula | C27H36O12 |
| Molecular Weight | 552.57 |
| CAS Registry Number | 1229609-47-5 |
| SMILES | COc1cc(C=CC(=O)OCC2OC(OCC3=CC(=O)CC(C)(C)C3CO)C(O)C(O)C2O)cc(OC)c1O |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rubiaceae | Gardeniae fructus | Fruits | 0.000280% | Chem Biodivers, 2012, 9, 1490-1510. | 10.1002/cbdv.201200030 |
Properties
| HBA | 12 | HBD | 5 |
| HeavyAtoms | 39 | AlogP | 0.32 |
| TPSA | 181.44 | RotatableBonds | 10 |
| FractionCSP3 | 0.56 | Rings | 3 |
| AromaticRings | 1 | AliphaticRings | 2 |