(2R,3R,4R,5S,6R)-6-[[(3S,4S,4aS,6aR,6bR,8aR,9S,11S,12aS,14aS,14bR)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-9-[(2R,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
Grundinformationen
- Standard-SMILES
C[C@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@]6(C)[C@H]5CC=C5[C@@H]7C[C@](C)(C(=O)O)C[C@H](O[C@H]8OC[C@H](O)[C@@H](O)[C@H]8O)[C@]7(C)CC[C@@]56C)[C@@]4(C)CO)O[C@@H](C(=O)O)[C@H](O)[C@H]3O)O[C@@H](CO)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@@H]1O- InChIKey
WDTDNDCKPMAESS-UFDAZMDBSA-N- Summenformel
- C53H84O24
- Durchschnittliche Molmasse
- 1.105,2 g/mol
- Monoisotopische Masse
- 1.104,53525357
Namen und Bezeichner
- Bevorzugter Name
- (2R,3R,4R,5S,6R)-6-[[(3S,4S,4aS,6aR,6bR,8aR,9S,11S,12aS,14aS,14bR)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-9-[(2R,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
- IUPAC
- (2R,3R,4R,5S,6R)-6-[[(3S,4S,4aS,6aR,6bR,8aR,9S,11S,12aS,14aS,14bR)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-9-[(2R,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,6
- Polarare Oberfläche (TPSA)
- 391 Ų
- H-Brücken-Donoren
- 14
- H-Brücken-Akzeptoren
- 24
- Frei drehbare Bindungen
- 12
- Schwere Atome
- 77
- Formalladung
- 0
- Komplexität
- 2.190
Zugehörige Reaktionen
0
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