55466-04-1

Jujuboside A

IUPAC Name: (2S,3R,4R,5R,6S)-2-(((2S,3R,4S,5S)-4-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(((1S,3R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14aR,14bS)-1-hydroxy-1,6b,9,9,12a-pentamethyl-3-(2-methylprop-1-en-1-yl)hexadecahydro-1H,6H-4a,6a-methanonaphtho[1,2-h]pyrano[2,3-c]isochromen-10-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol

InChIKey: KVKRFLVYJLIZFD-OQVAHBRNSA-N

SMILES: C[C@]([C@]1([H])CC2)(CC[C@]3([H])[C@@]1(CC[C@H](O[C@@](OC[C@H](O)[C@@H]4O[C@@](O[C@H](CO[C@@H]([C@@H]([C@@H](O)[C@@H]5O)O)O[C@@H]5CO)[C@@H](O)[C@@H]6O)([H])[C@@H]6O[C@@](OC[C@@H](O)[C@@H]7O)([H])[C@@H]7O)([H])[C@@H]4O[C@@](O[C@@H](C)[C@H](O)[C@H]8O)([H])[C@@H]8O)C3(C)C)C)[C@@]9(CO%10)[C@@]2([H])[C@]([C@]%11(O)C)([H])[C@@]%10(O[C@@H](/C=C(C)/C)C%11)C9