1-O-3,4-(dihydroxyphenyl)ethyl-β-D-apiofuranosyl-(1->2)-β-D-xylopyranosyl-(1->3)-4-O-caffeoyl-β-D-glucopyranoside | 1176306-07-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-O-3,4-(dihydroxyphenyl)ethyl-β-D-apiofuranosyl-(1->2)-β-D-xylopyranosyl-(1->3)-4-O-caffeoyl-β-D-glucopyranoside
• 英文别名: fucatoside B；[(2R,3R,4S,5R,6R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
• CAS: 1176306-07-2
• 化学式: C₃₃H₄₂O₁₉
• 分子量: 742.685
• InChiKey: PPMUODHYYRGJOK-LXOFMWEESA-N

物化性质

• 沸点：
  1029.5±65.0 °C(Predicted)
• 密度：
  1.68±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.2
• 重原子数：
  52
• 可旋转键数：
  14
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  304
• 氢给体数：
  11
• 氢受体数：
  19

反应信息

• 作为反应物：
  描述：

  1-O-3,4-(dihydroxyphenyl)ethyl-β-D-apiofuranosyl-(1->2)-β-D-xylopyranosyl-(1->3)-4-O-caffeoyl-β-D-glucopyranoside 在 盐酸 、 水 作用下， 反应 4.0h， 生成 D-木糖 、 D-apiose 、 葡萄糖
  参考文献：
  名称：

  Phenylethanoid Glycosides from Lantana fucata with in Vitro Anti-inflammatory Activity

  摘要：

  A phytochemical analysis of Lantana fucata dried leaves led to the isolation of three new phenylethanoid glycosides, fucatosides A-C, along with parvifloroside A and six known methoxyflavones. Their structures were established by NMR and ESIMS experiments. In vitro assays showed that the alcoholic extract and fucatoside C have significant anti-inflammatory effects, inhibiting NO release in the LPS-induced J774.Al murine macrophage cell line.

  DOI：

  10.1021/np9002383