HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 178975729Generated: November 4, 2026
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aS,6bR,10R,11R,12aR)-1,10,11-trihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
https://huagongshe.com/en/chemical/178975729
Identifiers & Physical Properties
| Molecular formula | C36H58O12 |
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| Average molar mass | 682.8 g/mol |
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| Monoisotopic mass | 682.3928273 g/mol |
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| SMILES | CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(CO)(CO)C5CC[C@]43C)C2[C@@H]1O |
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| InChIKey | FSLDBYNJYAUPDI-FIWXFAFXSA-N |
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| ChEBI | CHEBI:182362 |
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Chemical & Physical Properties
| XLogP | 1.5 |
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| Topological polar surface area | 218 |
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| Hydrogen bond donors | 9 |
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| Hydrogen bond acceptors | 12 |
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| Rotatable bonds | 6 |
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| Heavy atoms | 48 |
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| Formal charge | 0 |
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| Complexity | 1,280 |
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![[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aS,6bR,10R,11R,12aR)-1,10,11-trihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate molecular structure](/img/chemical/178975729.png)