1-O-3,4-(dihydroxyphenyl)ethyl-β-D-apiofuranosyl-(1->2)-4-O-caffeoyl-β-D-glucopyranoside | 1176306-06-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 1-O-3,4-(dihydroxyphenyl)ethyl-β-D-apiofuranosyl-(1->2)-4-O-caffeoyl-β-D-glucopyranoside
• 英文别名: fucatoside A；[(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
• CAS: 1176306-06-1
• 化学式: C₂₈H₃₄O₁₅
• 分子量: 610.569
• InChiKey: MNAIMEPYDVJSJU-WLJWCVHXSA-N

物化性质

• 沸点：
  935.2±65.0 °C(Predicted)
• 密度：
  1?+-.0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  43
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  245
• 氢给体数：
  9
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  1-O-3,4-(dihydroxyphenyl)ethyl-β-D-apiofuranosyl-(1->2)-4-O-caffeoyl-β-D-glucopyranoside 在 盐酸 、 水 作用下， 反应 4.0h， 生成 洋芹糖 、 D-apiose
  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