250643-56-2

QS-21-Xyl

IUPAC Name: (2S,3S,4S,5R,6R)-6-(((3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-((((2S,3R,4S,5R,6R)-3-(((2S,3R,4S,5R,6S)-5-(((2S,3R,4S,5R)-3,5-dihydroxy-4-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-5-(((3S,5S,6S)-5-(((3S,5S,6S)-5-(((2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-3-hydroxy-6-methyloctanoyl)oxy)-3-hydroxy-6-methyloctanoyl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)carbonyl)-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-3-hydroxy-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid

InChIKey: ZGCXBEZHDLUWPW-VWCXZNQNSA-N

SMILES: O[C@H]([C@@H]([C@H]([C@@H](O1)C)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)[C@@H]1O[C@H]([C@H]([C@H]([C@H](O4)C)OC(C[C@@H](O)C[C@@H]([C@@H](C)CC)OC(C[C@@H](O)C[C@@H]([C@@H](C)CC)O[C@@H]5O[C@H]([C@@H]([C@H]5O)O)CO)=O)=O)O)[C@@H]4OC([C@]67[C@](CC(C)(CC7)C)([H])C8=CC[C@@]([C@@]9([C@@]([C@@](C)([C@H](CC9)O[C@H]%10[C@@H]([C@H]([C@@H]([C@H](O%10)C(O)=O)O)O[C@H]%11[C@@H]([C@H]([C@@H](CO%11)O)O)O)O[C@@H]%12O[C@@H]([C@@H]([C@@H]([C@H]%12O)O)O)CO)C=O)([H])CC%13)C)([H])[C@]%13(C)[C@@]8(C[C@H]6O)C)=O