Chem
J-GLOBAL ID：200907082500483845   Nikkaji number：J1.005.794I

(4-Nitrophenyl)4-O-(3-O-β-D-galactopyranosyl-β-D-galactopyranosyl)-β-D-glucopyranoside

(4-ニトロフェニル)4-O-(3-O-β-D-ガラクトピラノシル-β-D-ガラクトピラノシル)-β-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： C24H35[N+]O17[O-]
Molecular formula furigana： C24-H35-N-O18
Molecular weight： 625.533
InChI： InChI=1S/C24H35NO18/c26-5-10-13(29)15(31)17(33)23(39-10)43-21-14(30)11(6-27)40-24(19(21)35)42-20-12(7-28)41-22(18(34)16(20)32)38-9-3-1-8(2-4-9)25(36)37/h1-4,10-24,26-35H,5-7H2/t10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21+,22-,23+,24+/m1/s1
InChI key： SKLDPEZEJHEOCA-FVXCRSEYSA-N
SMILES： OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](Oc4ccc(cc4)[N+](=O)[O-])O[C@@H]3CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O
Systematic name  (3)：
  • (4-ニトロフェニル)4-O-(3-O-β-D-ガラクトピラノシル-β-D-ガラクトピラノシル)-β-D-グルコピラノシド
  • (2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6S)-4,5-ジヒドロキシ-2-(ヒドロキシメチル)-6-(4-ニトロフェノキシ)オキサン-3-イル]オキシ}-3,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-4-イル]オキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (1)：
  • (4-Nitrophenyl)4-O-(3-O-β-D-galactopyranosyl-β-D-galactopyranosyl)-β-D-glucopyranoside
Thsaurus map：
Thesaurus Map

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