HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 178961848Erstellt: 4. November 2026
[(3R,7S)-8-[(1S,4aS,6R,7R,7aS)-6-hydroxy-7-methyl-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbonyl]oxy-3,7-dimethyloctyl] (1R,4aS,7R,7aS)-7-hydroxy-7-methyl-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
https://huagongshe.com/de/chemical/178961848
Identifikatoren & physikalische Daten
| Summenformel | C42H66O20 |
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| Durchschnittliche Molmasse | 891 g/mol |
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| Monoisotopische Masse | 890,41474451 g/mol |
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| SMILES | C[C@H](CCC[C@H](C)COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H](C)[C@H](O)C[C@H]12)CCOC(=O)C1=CO[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@@H]1CC[C@@]2(C)O |
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| InChIKey | JIUZSBAXPZBGBT-ZSRQLXGZSA-N |
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Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
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| Polarare Oberfläche (TPSA) | 310 |
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| H-Brücken-Donoren | 10 |
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| H-Brücken-Akzeptoren | 20 |
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| Frei drehbare Bindungen | 19 |
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| Schwere Atome | 62 |
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| Formalladung | 0 |
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| Komplexität | 1.580 |
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![Molekülstruktur von [(3R,7S)-8-[(1S,4aS,6R,7R,7aS)-6-hydroxy-7-methyl-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbonyl]oxy-3,7-dimethyloctyl] (1R,4aS,7R,7aS)-7-hydroxy-7-methyl-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate](/img/chemical/178961848.png)