Chem
J-GLOBAL ID：200907011812694377   Nikkaji number：J1.060.814G

[(3R,4R,5R,6S)-3,5,6-Trihydroxyhexahydro-1H-azepine]-4-yl 4-O-(4-O-α-D-glucopyranosyl-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-(4-O-α-D-グルコピラノシル-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： C24H43NO19
Molecular formula furigana： C24-H43-N-O19
Molecular weight： 649.596
InChI： InChI=1S/C24H43NO19/c26-3-8-12(32)13(33)16(36)22(39-8)43-20-10(5-28)41-24(18(38)15(20)35)44-21-9(4-27)40-23(17(37)14(21)34)42-19-7(30)2-25-1-6(29)11(19)31/h6-38H,1-5H2/t6-,7+,8+,9+,10+,11+,12+,13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+/m0/s1
InChI key： YKEWUDMUFRDVBZ-KVXMBEGHSA-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)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)CNC[C@H](O)[C@H]4O)O[C@@H]3CO)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-(4-O-α-D-グルコピラノシル-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)-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}-3,4-ジヒドロキシ-6-(ヒドロキシメチル)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)-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}-3,4-dihydroxy-6-(hydroxymethyl)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-(4-O-α-D-glucopyranosyl-α-D-glucopyranosyl)-α-D-glucopyranoside
Thsaurus map：
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