4''-O-β-D-glucopyranosyl-caffeoylcalleryanin | 1011260-00-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4''-O-β-D-glucopyranosyl-caffeoylcalleryanin
• 英文别名: [3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl (E)-3-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
• CAS: 1011260-00-6
• 化学式: C₂₈H₃₄O₁₆
• 分子量: 626.568
• InChiKey: RRGGESLOSSWKQB-LYBDYCAMSA-N

物化性质

• 沸点：
  969.1±65.0 °C(Predicted)
• 密度：
  1.639±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  44
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  266
• 氢给体数：
  10
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  4''-O-β-D-glucopyranosyl-caffeoylcalleryanin 在 硫酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.0h， 生成 可得然胶
  参考文献：
  名称：

  Phenolic and iridoid glycosides from Strychnos axillaris

  摘要：

  Five phenolic glycosides 1-5 and an iridoid glucoside 6 were isolated, together with 22 known compounds, from the dried barks and woods of Strychnos axillaris. Their structures were determined by application of spectroscopic (NMR, MS) and chemical methodologies. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2007.12.002

文献信息

• Phenolic and iridoid glycosides from Strychnos axillaris
  作者：Atsuko Itoh、Yasuhiro Tanaka、Naotaka Nagakura、Toru Akita、Toyoyuki Nishi、Takao Tanahashi

  DOI：10.1016/j.phytochem.2007.12.002

  日期：2008.3

  Five phenolic glycosides 1-5 and an iridoid glucoside 6 were isolated, together with 22 known compounds, from the dried barks and woods of Strychnos axillaris. Their structures were determined by application of spectroscopic (NMR, MS) and chemical methodologies. (c) 2007 Elsevier Ltd. All rights reserved.