2-hydroxy-4-(2-hydroxyethyl)phenyl 6-(4-hydroxy-3,5-dimethoxybenzoate) O-β-D-glucopyranoside | 1346265-63-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: 2-hydroxy-4-(2-hydroxyethyl)phenyl 6-(4-hydroxy-3,5-dimethoxybenzoate) O-β-D-glucopyranoside
• 英文别名: 4′-O-[6″-O-(4‴-hydroxy-3‴,5‴-dimethoxybenzoyl)-β-D-glucopyranosyl]-3′-hydroxyphenethylalcohol；[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-(2-hydroxyethyl)phenoxy]oxan-2-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate
• CAS: 1346265-63-1
• 化学式: C₂₃H₂₈O₁₂
• 分子量: 496.468
• InChiKey: JTSLEFJYUVTLOS-OXUVVOBNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  35
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  185
• 氢给体数：
  6
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  2-hydroxy-4-(2-hydroxyethyl)phenyl 6-(4-hydroxy-3,5-dimethoxybenzoate) O-β-D-glucopyranoside 在 sodium methylate 作用下， 以 甲醇 为溶剂， 生成 3,4-dihydroxyphenethyl alcohol 4-O-β-D-glucopyranoside
  参考文献：
  名称：

  Terpenoids and phenethyl glucosides from Hyssopus cuspidatus (Labiatae)

  摘要：

  Monoterpenoids (3 and 4), sesquiterpenoid (2), diterpenoid (1) and four phenethyl glucosides (5-8), together with fourteen known compounds, were isolated from the whole herb of Hyssopus cuspidatus. Their structures were determined by spectroscopic means. The abietane-type diterpenoids (1, 9, 10), rosmarinic acid (15) and salvigenin (17) inhibited leukotriene (LT) C-4 secretion from primary alveolar cells of Wistar rats. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2011.07.008

文献信息

• Terpenoids and phenethyl glucosides from Hyssopus cuspidatus (Labiatae)
  作者：Megumi Furukawa、Mitsuko Makino、Emika Ohkoshi、Taketo Uchiyama、Yasuo Fujimoto

  DOI：10.1016/j.phytochem.2011.07.008

  日期：2011.12

  Monoterpenoids (3 and 4), sesquiterpenoid (2), diterpenoid (1) and four phenethyl glucosides (5-8), together with fourteen known compounds, were isolated from the whole herb of Hyssopus cuspidatus. Their structures were determined by spectroscopic means. The abietane-type diterpenoids (1, 9, 10), rosmarinic acid (15) and salvigenin (17) inhibited leukotriene (LT) C-4 secretion from primary alveolar cells of Wistar rats. (C) 2011 Elsevier Ltd. All rights reserved.