HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 178961813Generated: November 2, 2026
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-[7-hydroxy-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
https://huagongshe.com/en/chemical/178961813
Identifiers & Physical Properties
| Molecular formula | C33H41O22+ |
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| Average molar mass | 789.7 g/mol |
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| Monoisotopic mass | 789.20839937 g/mol |
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| SMILES | OC[C@@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O |
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| InChIKey | JKIDZSBNUJBLGC-GJZFSQBMSA-O |
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Chemical & Physical Properties
| Topological polar surface area | 360 |
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| Hydrogen bond donors | 15 |
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| Hydrogen bond acceptors | 21 |
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| Rotatable bonds | 10 |
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| Heavy atoms | 55 |
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| Formal charge | 1 |
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| Complexity | 1,210 |
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![(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-[7-hydroxy-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol molecular structure](/img/chemical/178961813.png)