HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 178975813Generated: October 31, 2026
[(2S,3S,4R,5S,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-4-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (Z)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
https://huagongshe.com/en/chemical/178975813
Identifiers & Physical Properties
| Molecular formula | C36H48O19 |
|---|
| Average molar mass | 784.8 g/mol |
|---|
| Monoisotopic mass | 784.27897932 g/mol |
|---|
| SMILES | COc1ccc(/C=C\C(=O)O[C@@H]2[C@H](O[C@H]3O[C@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H](OCCc3ccc(O)c(OC)c3)O[C@H]2CO[C@@H]2OC[C@](O)(CO)[C@H]2O)cc1O |
|---|
| InChIKey | OCXKGDMTXRHSHM-HOGZJGCWSA-N |
|---|
Chemical & Physical Properties
| XLogP | -1.1 |
|---|
| Topological polar surface area | 282 |
|---|
| Hydrogen bond donors | 9 |
|---|
| Hydrogen bond acceptors | 19 |
|---|
| Rotatable bonds | 16 |
|---|
| Heavy atoms | 55 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 1,230 |
|---|
![[(2S,3S,4R,5S,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-4-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (Z)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate molecular structure](/img/chemical/178975813.png)