Chem
J-GLOBAL ID：200907071359529150   Nikkaji number：J1.005.796E

(4-Aminophenyl)4-O-(4-O-β-D-galactopyranosyl-β-D-galactopyranosyl)-β-D-glucopyranoside

(4-アミノフェニル)4-O-(4-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： C24H37NO16
Molecular formula furigana： C24-H37-N-O16
Molecular weight： 595.551
InChI： InChI=1S/C24H37NO16/c25-8-1-3-9(4-2-8)36-22-18(34)15(31)20(11(6-27)38-22)41-24-19(35)16(32)21(12(7-28)39-24)40-23-17(33)14(30)13(29)10(5-26)37-23/h1-4,10-24,26-35H,5-7,25H2/t10-,11-,12-,13+,14+,15-,16-,17-,18-,19-,20-,21+,22-,23+,24+/m1/s1
InChI key： ANLRVNHBTKRLQO-VYAGOZEHSA-N
SMILES： Nc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1
Systematic name  (3)：
  • (4-アミノフェニル)4-O-(4-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-{[(2R,3R,4R,5R,6S)-6-{[(2R,3S,4R,5R,6S)-6-(4-アミノフェノキシ)-4,5-ジヒドロキシ-2-(ヒドロキシメチル)オキサン-3-イル]オキシ}-4,5-ジヒドロキシ-2-(ヒドロキシメチル)オキサン-3-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-{[(2R,3R,4R,5R,6S)-6-{[(2R,3S,4R,5R,6S)-6-(4-aminophenoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (1)：
  • (4-Aminophenyl)4-O-(4-O-β-D-galactopyranosyl-β-D-galactopyranosyl)-β-D-glucopyranoside
Thsaurus map：
Thesaurus Map

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