2-benzyl-4,6-dihydroxy benzoic acid-6-O-β-D-glucopyranoside | 1303611-53-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-benzyl-4,6-dihydroxy benzoic acid-6-O-β-D-glucopyranoside
• 英文别名: 2-benzyl-4-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
• CAS: 1303611-53-1
• 化学式: C₂₀H₂₂O₉
• 分子量: 406.389
• InChiKey: FMDSCPPQABHNLB-UVNCQSPWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  157
• 氢给体数：
  6
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2-benzyl-4,6-dihydroxy benzoic acid-6-O-β-D-glucopyranoside 在 盐酸 作用下， 以 水 为溶剂， 反应 3.0h， 生成 葡萄糖
  参考文献：
  名称：

  Benzyl-β-resorcylates from Cassia obtusifolia

  摘要：

  The seed of Cassia obtusifolia Linn have yielded three new compounds, 2-benzyl-4,6-dihydroxy benzoic acid (1), 2-benzyl-4,6-dihydroxy benzoic acid-6-O-beta-D-glucopyranoside (2) and 2-benzyl-4,6-dihydroxy benzoic acid-4-O-beta-D-glucopyranoside (3). Their structures were determined by spectroscopic methods, including D-1- and D-2 NMR spectroscopy, HR-ESI-MS, as well as by comparison of their spectral data with those of related compounds. (C) 2010 Published by Elsevier B.V.

  DOI：

  10.1016/j.fitote.2010.03.004

文献信息

• Benzyl-β-resorcylates from Cassia obtusifolia
  作者：Xiao-Hui Wu、Jin-Lan Ruan、Chun-Ru Cheng、Zhi-Yuan Wu、Shu-Hong Guan、Si-Jia Tao、Ping-Ping Xu、De-An Guo

  DOI：10.1016/j.fitote.2010.03.004

  日期：2010.9

  The seed of Cassia obtusifolia Linn have yielded three new compounds, 2-benzyl-4,6-dihydroxy benzoic acid (1), 2-benzyl-4,6-dihydroxy benzoic acid-6-O-beta-D-glucopyranoside (2) and 2-benzyl-4,6-dihydroxy benzoic acid-4-O-beta-D-glucopyranoside (3). Their structures were determined by spectroscopic methods, including D-1- and D-2 NMR spectroscopy, HR-ESI-MS, as well as by comparison of their spectral data with those of related compounds. (C) 2010 Published by Elsevier B.V.