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-2.1694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8905 -2.7752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 1 0 0 0\n 3 8 1 6 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 11 13 2 0 0 0 0\n 9 14 1 0 0 0 0\n 14 15 1 1 0 0 0\n 14 16 1 0 0 0 0\n 17 16 1 0 0 0 0\n 18 17 1 0 0 0 0\n 19 18 2 0 0 0 0\n 18 20 1 0 0 0 0\n 17 21 1 1 0 0 0\n 22 21 1 0 0 0 0\n 23 22 1 0 0 0 0\n 23 24 1 6 0 0 0\n 23 25 1 0 0 0 0\n 25 26 1 0 0 0 0\n 27 26 1 1 0 0 0\n 27 28 1 0 0 0 0\n 28 29 1 0 0 0 0\n 29 30 1 0 0 0 0\n 28 31 1 6 0 0 0\n 27 32 1 0 0 0 0\n 32 33 1 0 0 0 0\n 33 34 1 0 0 0 0\n 34 35 2 0 0 0 0\n 33 36 1 6 0 0 0\n 32 37 1 6 0 0 0\n 38 25 1 0 0 0 0\n 39 38 1 0 0 0 0\n 39 40 1 1 0 0 0\n 40 41 1 0 0 0 0\n 42 39 1 0 0 0 0\n 42 43 1 1 0 0 0\n 22 42 1 0 0 0 0\n 17 1 1 0 0 0 0\n 22 44 1 6 0 0 0\n 2 45 1 6 0 0 0\n 25 46 1 6 0 0 0\nM END", "smiles": "CC(=O)N[C@@H]1[C@H](C[C@](C(=O)O)(O[C@@]1([H])[C@@H]([C@@H](CO)O)O)O[C@@]2([H])[C@H]([C@@H](CO)O[C@]([H])([C@@H]2O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O", "formula": "C23H39NO19", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ABSOLUTE", "defined_stereo": 15, "ez_centers": 0, "molecular_weight": "633.552", "optical_activity": "UNSPECIFIED", "references": [ "dca77113-79d6-4853-b0e5-6fad3a50edea", "023c4120-7c5c-4390-8871-5705bd644084" ], "stereo_centers": 15 }, "unii": "3J7TAL60G3" } ] }