methyl 4-O-β-D-glucopyranosylnervogenate | 98969-31-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl 4-O-β-D-glucopyranosylnervogenate
• 英文别名: methyl 3,5-bis(3-methyl-2-butenyl)-4-O-(β-D-glucopyranosyl)benzoate；Methyl 3,5-bis(3-methylbut-2-en-1-yl)-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzoate；methyl 3,5-bis(3-methylbut-2-enyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
• CAS: 98969-31-4
• 化学式: C₂₄H₃₄O₈
• 分子量: 450.529
• InChiKey: AHSLGPOCIDVBIR-IDYLKPADSA-N

物化性质

• 沸点：
  633.5±55.0 °C(Predicted)
• 密度：
  1.231±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  126
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  methyl 4-O-β-D-glucopyranosylnervogenate 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 4.0h， 生成 葡萄糖
  参考文献：
  名称：

  New Nervogenic Acid Derivatives from Liparis nervosa

  摘要：

  Ten new nervogenic acid derivatives (1-4, 6-11) and one known compound (5) have been isolated from Liparis nervosa. Their structures were determined using extensive spectroscopic analysis, including 1D and 2D NMR experiments. Compounds 3, 4, 9, 10, and 11 were evaluated for their cytotoxicity against A549, H460, Hela, MCF-7, Ca-co2, and HepG2 human cancer cell lines.

  DOI：

  10.1055/s-0032-1328109
• 作为产物：
  描述：

  anodendrosin E 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 5.0h， 生成 methyl 4-O-β-D-glucopyranosylnervogenate
  参考文献：
  名称：

  Abe, Fumiko; Yamauchi, Tatsuo, Chemical and pharmaceutical bulletin, 1985, vol. 33, # 7, p. 2712 - 2720

  摘要：

  DOI：

文献信息

• Anodendrosins J and K, Two Sucrose Bisglycosylnervogenates from the Seeds of Anodendron affine(Studies on Anodendron. IX).
  作者：Rikako HANADA、Fumiko ABE、Yujiro MORI、Tatsuo YAMAUCHI

  DOI：10.1248/cpb.40.2292

  日期：——

  Anodendrosins J and K, two diesters of 4-O-glycosyl-3, 5-diprenyl-4-hydroxybenzoic acid with sucrose were obtained from the seeds of Anodendron affine, and their structures were determined by spectral and chemical means.

  通过光谱和化学方法确定了 Anodendrosins J 和 K（4-O-糖基-3, 5-二烯基-4-羟基苯甲酸与蔗糖的两种二酯）的结构。
• Abe, Fumiko; Yamauchi, Tatsuo, Chemical and pharmaceutical bulletin, 1985, vol. 33, # 7, p. 2712 - 2720
  作者：Abe, Fumiko、Yamauchi, Tatsuo

  DOI：——

  日期：——
• New Nervogenic Acid Derivatives from Liparis nervosa
  作者：Shuai Huang、Xian-li Zhou、Cui-juan Wang、Hong-yan Wang、You-song Wang、Lian-hai Shan、Jie Weng

  DOI：10.1055/s-0032-1328109

  日期：——

  Ten new nervogenic acid derivatives (1-4, 6-11) and one known compound (5) have been isolated from Liparis nervosa. Their structures were determined using extensive spectroscopic analysis, including 1D and 2D NMR experiments. Compounds 3, 4, 9, 10, and 11 were evaluated for their cytotoxicity against A549, H460, Hela, MCF-7, Ca-co2, and HepG2 human cancer cell lines.