Chem
J-GLOBAL ID：200907048918233850   Nikkaji number：J1.060.812K

[(3R,4R,5R,6S)-3,5,6-Trihydroxyhexahydro-1H-azepine]-4-yl 4-O-α-D-glucopyranosyl-α-D-glucopyranoside

[(3R,4R,5R,6S)-3,5,6-トリヒドロキシヘキサヒドロ-1H-アゼピン]-4-イル4-O-α-D-グルコピラノシル-α-D-グルコピラノシド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C18H33NO14
Molecular formula furigana： C18-H33-N-O14
Molecular weight： 487.455
InChI： InChI=1S/C18H33NO14/c20-3-7-10(25)11(26)13(28)17(30-7)33-16-8(4-21)31-18(14(29)12(16)27)32-15-6(23)2-19-1-5(22)9(15)24/h5-29H,1-4H2/t5-,6+,7+,8+,9+,10+,11-,12+,13+,14+,15+,16+,17+,18+/m0/s1
InChI key： KOSAXJLUTNHAPX-CGQAXDJHSA-N
SMILES： OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)CNC[C@H](O)[C@H]3O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • [(3R,4R,5R,6S)-3,5,6-トリヒドロキシヘキサヒドロ-1H-アゼピン]-4-イル4-O-α-D-グルコピラノシル-α-D-グルコピラノシド
  • (3S,4R,5R,6R)-5-{[(2R,3R,4R,5S,6R)-3,4-ジヒドロキシ-6-(ヒドロキシメチル)-5-{[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}オキサン-2-イル]オキシ}アゼパン-3,4,6-トリオール
  • (3S,4R,5R,6R)-5-{[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}azepane-3,4,6-triol
Other name (1)：
  • [(3R,4R,5R,6S)-3,5,6-Trihydroxyhexahydro-1H-azepine]-4-yl 4-O-α-D-glucopyranosyl-α-D-glucopyranoside
Thsaurus map：
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