6-O-(4-hydroxy-3-methoxybenzoyl)-α,α-trehalose

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: 6-O-(4-hydroxy-3-methoxybenzoyl)-α,α-trehalose
• 英文别名: simalin A；[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate
• 化学式: C₂₀H₂₈O₁₄
• 分子量: 492.434
• InChiKey: QTQFFEKDPLZEFJ-DLNRRKQSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.9
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  225
• 氢给体数：
  8
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  6-O-(4-hydroxy-3-methoxybenzoyl)-α,α-trehalose 在 水 、 potassium hydroxide 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 海藻糖
  参考文献：
  名称：

  Simalin A and B: Two new aromatic compounds from the stem bark of Bombax ceiba

  摘要：

  Five monoterpene indole alkaloids (vincosamide-6'-O-beta-D-glucopyranoside (1), vincosamide (2), strictosamide (3), strictosidine (4), and 5(S)-5-carboxystrictosidine (5)), and two monoterpene diglycosides (urceolide (6) and 4(S)-4-hydroxyurceolide (7)) were isolated from the roots of Triosteum pinnatifidum. Their structures were elucidated using various spectroscopic methods, acid hydrolysis and X-ray crystallographic analysis. Compounds 1 and 7 were new compounds, and the C-13 NMR spectroscopic data of compound 6 were reported for the first time. (C) 2013 Phytochemical Society of Europe. Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.phytol.2013.09.005

文献信息

• Simalin A and B: Two new aromatic compounds from the stem bark of Bombax ceiba
  作者：Khem Raj Joshi、Hari Prasad Devkota、Shoji Yahara

  DOI：10.1016/j.phytol.2013.09.005

  日期：2014.2

  Five monoterpene indole alkaloids (vincosamide-6'-O-beta-D-glucopyranoside (1), vincosamide (2), strictosamide (3), strictosidine (4), and 5(S)-5-carboxystrictosidine (5)), and two monoterpene diglycosides (urceolide (6) and 4(S)-4-hydroxyurceolide (7)) were isolated from the roots of Triosteum pinnatifidum. Their structures were elucidated using various spectroscopic methods, acid hydrolysis and X-ray crystallographic analysis. Compounds 1 and 7 were new compounds, and the C-13 NMR spectroscopic data of compound 6 were reported for the first time. (C) 2013 Phytochemical Society of Europe. Published by Elsevier B.V. All rights reserved.