2656438-29-6

Agrostemmoside E

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,5S,6S)-4-(((2S,3R,4R,5S,6R)-5-acetoxy-6-(acetoxymethyl)-3,4-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-3-hydroxy-6-methyl-5-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-(((2S,3R,4R,5R,6R)-4,5-diacetoxy-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)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: BQQBOLGAZNTOPA-AHZQSVIWSA-N

SMILES: C(O[C@H]1[C@H](O[C@H]2[C@H](O)[C@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]3O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)[C@H](C)O2)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C)O5)[C@@H](C)O1)(=O)[C@]67[C@](C=8[C@@](C)(C[C@H]6O)[C@@]9(C)[C@](CC8)([C@]%10(C)[C@@](CC9)([C@@](C=O)(C)[C@@H](O[C@H]%11[C@H](O[C@@H]%12O[C@H](CO)[C@H](O)[C@H](O)[C@H]%12O)[C@@H](O[C@H]%13[C@H](O)[C@@H](O)[C@H](O)CO%13)[C@H](O)[C@@H](C(O)=O)O%11)CC%10)[H])[H])(CC(C)(C)CC7)[H]