66779-34-8

Platycodin A

IUPAC Name: (2S,3R,4S,5S)-3-(((2S,3R,4R,5R,6S)-3-acetoxy-5-(((2S,3R,4S,5R)-4-(((2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-3,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-2-yl (4aR,5R,6aS,6bR,8aR,10R,11S,12aR,12bR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylate

InChIKey: CNHZRRBWLMSLDX-WNHLAMKZSA-N

SMILES: O=C([C@]([C@@H](C[C@]12C)O)(CCC3(C)C)[C@](C3)([H])C1=CC[C@@]4([H])[C@]2(CC[C@](C(CO)([C@H]5O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]([C@H]6O)CO)CO)([H])[C@@]4(C[C@@H]5O)C)C)O[C@H](OC[C@@H]7O)[C@@H]([C@H]7O)O[C@H](O[C@H]8C)[C@@H]([C@@H]([C@H]8O[C@H](OC[C@H]9O)[C@@H]([C@H]9O[C@H](OC[C@@](O)%10CO)[C@@H]%10O)O)O)OC(C)=O