197787-17-0

Avicin G

IUPAC Name: (2S,3R,4S,5S,6R)-3-(((2S,3R,4S,5S,6S)-5-(((2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-3-hydroxy-6-methyl-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (3S,4aR,5R,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(((2R,3R,4R,5S,6R)-3-acetamido-6-((((2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)methyl)-4,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-3-(((R,E)-6-(((2S,3R,4R,5S,6R)-3,4-dihydroxy-5-(((R,E)-6-hydroxy-2,6-dimethylocta-2,7-dienoyl)oxy)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-(hydroxymethyl)-6-methylocta-2,7-dienoyl)oxy)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylate

InChIKey: AAGNHEFESXZZGI-BEFIZLBESA-N

SMILES: C=C[C@@](O)(C)CC/C=C(C)/C(O[C@@H]([C@H](O)[C@H]1O)[C@@H](C)O[C@H]1O[C@@](C)(C=C)CC/C=C(CO)/C(O[C@H]2C[C@]3(C(O[C@H]4[C@H](O[C@@H]5O[C@@H](C)[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](CO)O6)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O7)[C@H]5O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=O)[C@H](O)C[C@@]8(C)[C@]9(C)CC[C@@]%10([H])C(C)(C)[C@@H](O[C@H]%11[C@@H]([C@@H](O)[C@H](O)[C@@H](CO[C@@H]%12O[C@H](C)[C@H](O)[C@H](O)[C@H]%12O[C@@H]%13OC[C@@H](O)[C@H](O)[C@H]%13O)O%11)NC(C)=O)CC[C@]%10(C)[C@@]9([H])CC=C8[C@]3([H])CC2(C)C)=O)=O