HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 178964310Erstellt: 1. November 2026
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9S,10R,11S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-11-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
https://huagongshe.com/de/chemical/178964310
Identifikatoren & physikalische Daten
| Summenformel | C48H76O19 |
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| Durchschnittliche Molmasse | 957,1 g/mol |
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| Monoisotopische Masse | 956,49808021 g/mol |
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| SMILES | C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@@H](O)C[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)CC[C@@]6(C)[C@]5(C)CC[C@H]4[C@]3(C)C=O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
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| InChIKey | MRNFWRKCIAOSRD-NDQJOVDZSA-N |
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Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
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| Polarare Oberfläche (TPSA) | 312 |
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| H-Brücken-Donoren | 11 |
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| H-Brücken-Akzeptoren | 19 |
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| Frei drehbare Bindungen | 10 |
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| Schwere Atome | 67 |
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| Formalladung | 0 |
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| Komplexität | 1.870 |
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![Molekülstruktur von [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9S,10R,11S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-11-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate](/img/chemical/178964310.png)