Chem
J-GLOBAL ID：200907049304893426   Nikkaji number：J1.060.815E

[(3R,4R,5R,6S)-3,5,6-Trihydroxyhexahydro-1H-azepine]-4-yl 4-O-[4-O-(4-O-α-D-glucopyranosyl-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-(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： C30H53NO24
Molecular formula furigana： C30-H53-N-O24
Molecular weight： 811.737
InChI： InChI=1S/C30H53NO24/c32-3-9-14(39)15(40)19(44)27(48-9)53-24-11(5-34)50-29(21(46)17(24)42)55-26-12(6-35)51-30(22(47)18(26)43)54-25-10(4-33)49-28(20(45)16(25)41)52-23-8(37)2-31-1-7(36)13(23)38/h7-47H,1-6H2/t7-,8+,9+,10+,11+,12+,13+,14+,15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+/m0/s1
InChI key： SRIAVWZIVOCFLF-GMMZZHHDSA-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)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)CNC[C@H](O)[C@H]5O)O[C@@H]4CO)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-(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)-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}-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)-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}-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-(4-O-α-D-glucopyranosyl-α-D-glucopyranosyl)-α-D-glucopyranosyl]-α-D-glucopyranoside
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