2-[[2-(β-D-glucopyranosyloxy)-5-hydroxybenzoyl]amino]-5-hydroxybenzoic acid methyl ester

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[[2-(β-D-glucopyranosyloxy)-5-hydroxybenzoyl]amino]-5-hydroxybenzoic acid methyl ester
• 英文别名: methyl 5-hydroxy-2-[[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]amino]benzoate
• 化学式: C₂₁H₂₃NO₁₁
• 分子量: 465.414
• InChiKey: BIQSZYHQDBWCMC-ZIKOTGLESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  195
• 氢给体数：
  7
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  2-[[2-(β-D-glucopyranosyloxy)-5-hydroxybenzoyl]amino]-5-hydroxybenzoic acid methyl ester 、 乙酸酐 在 吡啶 作用下， 以12.5 mg的产率得到methyl 5-acetyloxy-2-[[5-acetyloxy-2-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxybenzoyl]amino]benzoate
  参考文献：
  名称：

  Dianthramide glucosides from tissue cell cultures of Delphinium staphisagria L.

  摘要：

  Tissue cell cultures,of Delphinium staphisagria L. produced three dianthramide glucosides N-(2'-p-glucopranosylsalicyl)-5-hydroxyanthranilic acid methyl ester, N-(2'-beta-glucopyranosyl-5'-methoxysalicyl)-5-hydroxyanthranilic acid methyl ester and N(2'-beta-glucopyranosyl-5'-hydroxysalicyl)-5-hydroxy-6-methoxyanthranilic acid methyl ester, together with known methyl esters of N-salicylanthranilic acid and N-(2'-beta-glucopyranosyl-5'-hydroxysalicyl)-5-hydroxyanthranilic acid. Structures of the glucosides were established by MS, 1-D and 2-D NMR techniques. (c) 2004 Published by Elsevier Ltd.

  DOI：

  10.1016/j.phytochem.2004.10.021

文献信息

• Dianthramide glucosides from tissue cell cultures of Delphinium staphisagria L.
  作者：Jesús G. Díaz、Jorge L. Marapara、F. Valdés、José Gavin Sazatornil、Werner Herz

  DOI：10.1016/j.phytochem.2004.10.021

  日期：2005.3

  Tissue cell cultures,of Delphinium staphisagria L. produced three dianthramide glucosides N-(2'-p-glucopranosylsalicyl)-5-hydroxyanthranilic acid methyl ester, N-(2'-beta-glucopyranosyl-5'-methoxysalicyl)-5-hydroxyanthranilic acid methyl ester and N(2'-beta-glucopyranosyl-5'-hydroxysalicyl)-5-hydroxy-6-methoxyanthranilic acid methyl ester, together with known methyl esters of N-salicylanthranilic acid and N-(2'-beta-glucopyranosyl-5'-hydroxysalicyl)-5-hydroxyanthranilic acid. Structures of the glucosides were established by MS, 1-D and 2-D NMR techniques. (c) 2004 Published by Elsevier Ltd.