575446-95-6

Notoginsenoside S

IUPAC Name: (2R,3S,4S,5R,6S)-2-((((2R,3R,4R,5S)-3,4-dihydroxy-5-((((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydrofuran-2-yl)oxy)methyl)-6-(((S)-2-((3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-(((2R,3R,4S,5S,6R)-3-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-12-hydroxy-4,4,8,10,14-pentamethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methylhept-5-en-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triol

InChIKey: AZIGQTILUNTIQH-RJLRDNOXSA-N

SMILES: C[C@]12[C@]3([C@@]([C@H](O)C[C@]1([H])[C@@]4([C@@](C(C)([C@@H](O[C@@]5([H])[C@@H]([C@H]([C@H](O)[C@@H](CO)O5)O)O[C@@]6([H])[C@@H]([C@H]([C@H](O)[C@@H](CO)O6)O)O[C@@]7([H])[C@@H]([C@H]([C@H](O)CO7)O)O)CC4)C)([H])CC2)C)([H])[C@]([C@@](CC/C=C(C)/C)(C)O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)CO[C@@H]9O[C@@H](CO[C@H]%10[C@@H]([C@H]([C@H](O)CO%10)O)O)[C@H](O)[C@H]9O)([H])CC3)C