HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 160808237Generated: October 30, 2026
[(6S,8R,8aS)-8-[(2S,4S,5S)-3-acetyloxy-4-[(2S,4S,5R)-3-hydroxy-4,5,6-trimethyloxan-2-yl]oxy-5,6-dimethyloxan-2-yl]oxy-2,2-dimethyl-6-[(2S,4S,5S)-2,5,6-trimethyl-4-[(2R,5S,6R)-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-acetylchloranuidylazanium dichloride
https://huagongshe.com/en/chemical/160808237
Identifiers & Physical Properties
| Molecular formula | C52H84Cl3NO16-2 |
|---|
| Average molar mass | 1,085.6 g/mol |
|---|
| SMILES | C[C@@H]1[C@@H](C([C@@H](OC1C)O[C@H]2[C@H](C(O[C@H](C2OC(=O)C)O[C@H]3[C@H]4C(COC(O4)(C)C)O[C@H](C3[NH2+][Cl-]C(=O)C)OC5[C@@H](OC([C@@H]([C@@H]5O[C@@H]6C(C([C@@H]([C@@H](O6)COCC7=CC=CC=C7)C)C)C)C)C)C)C)C)O)C.[Cl-].[Cl-] |
|---|
| InChIKey | PSAZHDZIMUDLHT-AJZUIGFXSA-L |
|---|
| PubChem CID | 160808237 |
|---|
Chemical & Physical Properties
| Topological polar surface area | 191 |
|---|
| Hydrogen bond donors | 2 |
|---|
| Hydrogen bond acceptors | 19 |
|---|
| Rotatable bonds | 15 |
|---|
| Heavy atoms | 72 |
|---|
| Formal charge | -2 |
|---|
| Complexity | 1,700 |
|---|
![[(6S,8R,8aS)-8-[(2S,4S,5S)-3-acetyloxy-4-[(2S,4S,5R)-3-hydroxy-4,5,6-trimethyloxan-2-yl]oxy-5,6-dimethyloxan-2-yl]oxy-2,2-dimethyl-6-[(2S,4S,5S)-2,5,6-trimethyl-4-[(2R,5S,6R)-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-acetylchloranuidylazanium dichloride molecular structure](/img/chemical/160808237.png)