HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 178961908Erstellt: 2. November 2026
4-[(3S,5R,8R,9S,10S,12R,13S,14S,17S)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
https://huagongshe.com/de/chemical/178961908
Identifikatoren & physikalische Daten
| Summenformel | C41H64O14 |
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| Durchschnittliche Molmasse | 780,9 g/mol |
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| Monoisotopische Masse | 780,42960673 g/mol |
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| SMILES | C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]5(C)[C@@H](C7=CCOC7=O)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O |
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| InChIKey | HXJRGSFMHNTBIK-UFQNXWCKSA-N |
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Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
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| Polarare Oberfläche (TPSA) | 203 |
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| H-Brücken-Donoren | 6 |
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| H-Brücken-Akzeptoren | 14 |
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| Frei drehbare Bindungen | 7 |
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| Schwere Atome | 55 |
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| Formalladung | 0 |
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| Komplexität | 1.450 |
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![Molekülstruktur von 4-[(3S,5R,8R,9S,10S,12R,13S,14S,17S)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one](/img/chemical/178961908.png)