6-ethyl-2,3,7-tris(β-D-glucopyranosylsulfanyl)-5,8-dihydroxy-1,4-dihydronaphthalene-1,4-dione | 1208123-49-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 6-ethyl-2,3,7-tris(β-D-glucopyranosylsulfanyl)-5,8-dihydroxy-1,4-dihydronaphthalene-1,4-dione
• CAS: 1208123-49-2
• 化学式: C₃₀H₄₀O₁₉S₃
• 分子量: 800.834
• InChiKey: HDFYVFMELRCDAJ-ZFICTFTOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.79
• 重原子数：
  52.0
• 可旋转键数：
  10.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  345.05
• 氢给体数：
  14.0
• 氢受体数：
  22.0

反应信息

• 作为产物：
  描述：

  6-ethyl-5,8-dihydroxy-2,3,7-tris(tetra-O-acetyl-β-D-glucopyranosylsulfanyl)-1,4-dihydronaphthalene-1,4-dione 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 0.33h， 以61%的产率得到6-ethyl-2,3,7-tris(β-D-glucopyranosylsulfanyl)-5,8-dihydroxy-1,4-dihydronaphthalene-1,4-dione
  参考文献：
  名称：

  Synthesis and properties of water-soluble 5,8-dihydroxy-1,4-naphthoquinone thioglucosides structurally related to echinochrome

  摘要：

  Acetylated hydroxynaphthazarin di- and trithioglucosides structurally related to echinochrome were synthesized. Their deacetylation by the action of sodium methoxide in methanol and the effect of hydroxy groups on this process were studied. Water-soluble echinochrome thioglucosides were synthesized for the first time.

  DOI：

  10.1134/s1070428009100091