1-O-acetyl-3-O-p-coumaroyl-β-D-fructofuranosyl 3,4,6-tri-O-acetyl-α-D-glucopyranoside | 128638-21-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-O-acetyl-3-O-p-coumaroyl-β-D-fructofuranosyl 3,4,6-tri-O-acetyl-α-D-glucopyranoside
• 英文别名: [(2S,3S,4R,5R)-2-(acetyloxymethyl)-2-[(2R,3R,4R,5R,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-hydroxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
• CAS: 128638-21-1
• 化学式: C₂₉H₃₆O₁₇
• 分子量: 656.595
• InChiKey: UULRBMDSYFJFGT-VZOQTWIESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  46
• 可旋转键数：
  17
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  240
• 氢给体数：
  4
• 氢受体数：
  17

反应信息

• 作为反应物：
  描述：

  1-O-acetyl-3-O-p-coumaroyl-β-D-fructofuranosyl 3,4,6-tri-O-acetyl-α-D-glucopyranoside 、 乙酸酐 在 吡啶 作用下， 以12.0 mg的产率得到(E)-3-(4-Acetoxy-phenyl)-acrylic acid (2S,3S,4R,5R)-4-acetoxy-2,5-bis-acetoxymethyl-2-((2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-furan-3-yl ester
  参考文献：
  名称：

  New polyacylated sucrose derivatives from the bark of Prunus padus.

  摘要：

  Four new polyacylated sucrose derivatives were found in the bark of Prunus padus. All the compounds were shown to be derivatives of 3-O-p-coumaroyl-β-D-fructofuranosyl α-D-glucopyranoside, and their full structures were elucidated on the basis of spectroscopic and chemical evidence.

  DOI：

  10.1248/cpb.38.415