xylongoside B | 1383435-48-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: xylongoside B
• 英文别名: coumaroyl(3-OH)(-4)Glc(b)-O-Ph(2-OH)；[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-hydroxyphenoxy)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
• CAS: 1383435-48-0
• 化学式: C₂₁H₂₂O₁₀
• 分子量: 434.4
• InChiKey: VKMIKZMFCMZTKS-DCKYGJDOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  166
• 氢给体数：
  6
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  xylongoside B 在 盐酸 、 水 作用下， 以 1,4-二氧六环 为溶剂， 反应 3.0h， 生成 D-葡萄糖
  参考文献：
  名称：

  Chemical constituents from Xylosma longifolia and their anti-tubercular activity

  摘要：

  Two new glucosides, 3-methoxy-4-hydroxyphenylpropane-7,8-(6 '-benzoyl-2 ',1 '-O-beta-glucopyranosyl)-7,8,9-trio (1), and 2-hydroxyphenyl-4-caffeoyl-beta-D-glucoside (2), together with seven known compounds were isolated from the stem bark of Xylosma longifolia (Flacourtiaceae). The structures of the isolates were established on the basis of their spectral data, including mass spectrometry and 2D-NMR. The compound 8-hydroxy-6-methoxy-pentylisocoumarin (3) exhibited an MIC value of 40.5 mu g/mL against M. tuberculosis. (C) 2011 Phytochemical Society of Europe. Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.phytol.2011.04.008