Chem
J-GLOBAL ID：200907029140120322   Nikkaji number：J1.005.798A

[4-(Acryloylamino)phenyl]4-O-(3-O-α-D-galactopyranosyl-β-D-galactopyranosyl)-β-D-glucopyranoside

[4-(アクリロイルアミノ)フェニル]4-O-(3-O-α-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： C27H39NO17
Molecular formula furigana： C27-H39-N-O17
Molecular weight： 649.599
InChI： InChI=1S/C27H39NO17/c1-2-15(32)28-10-3-5-11(6-4-10)40-25-21(38)19(36)23(14(9-31)43-25)44-27-22(39)24(17(34)13(8-30)42-27)45-26-20(37)18(35)16(33)12(7-29)41-26/h2-6,12-14,16-27,29-31,33-39H,1,7-9H2,(H,28,32)/t12-,13-,14-,16+,17+,18+,19-,20-,21-,22-,23-,24+,25-,26-,27+/m1/s1
InChI key： KMHDPKOGGQVYJU-WOQNEKOKSA-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(NC(=O)C=C)cc4)O[C@@H]3CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O
Systematic name  (3)：
  • [4-(アクリロイルアミノ)フェニル]4-O-(3-O-α-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
  • N-(4-{[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4S,5S,6R)-3,5-ジヒドロキシ-6-(ヒドロキシメチル)-4-{[(2R,3R,4S,5R,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}フェニル)プロパ-2-エンアミド
  • N-(4-{[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enamide
Other name (1)：
  • [4-(Acryloylamino)phenyl]4-O-(3-O-α-D-galactopyranosyl-β-D-galactopyranosyl)-β-D-glucopyranoside
Thsaurus map：
Thesaurus Map

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