[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,5-bis[(E)-3-hydroxy-3-methylbut-1-enyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,5-bis[(E)-3-hydroxy-3-methylbut-1-enyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
• 化学式: C₃₅H₅₂O₂₀
• 分子量: 792.786
• InChiKey: IVPYFUBJLVMEBF-FGPUJWTJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.5
• 重原子数：
  55
• 可旋转键数：
  15
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  335
• 氢给体数：
  13
• 氢受体数：
  20

反应信息

• 作为产物：
  描述：

  anodendrosin E 在 air 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 70.0h， 以7 mg的产率得到[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,5-bis[(E)-3-hydroxy-3-methylbut-1-enyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
  参考文献：
  名称：

  Oxygenated Anodendrosins from the Seeds of Anodendron affine(Studies on Anodendron. XI).

  摘要：

  The structures of several newly isolated anodendrosins, oxygenated derivatives of 4-O-glucosyl-3, 5-diprenyl-4-hydroxybenzoic acid ester with sucrose, dambonitol or glucose, from the seeds of Anodendron affine were elucidated by spectral methods.

  DOI：

  10.1248/cpb.40.2913

文献信息

• Oxygenated Anodendrosins from the Seeds of Anodendron affine(Studies on Anodendron. XI).
  作者：Rikako HANADA、Fumiko ABE、Yujiro MORI、Tatsuo YAMAUCHI

  DOI：10.1248/cpb.40.2913

  日期：——

  The structures of several newly isolated anodendrosins, oxygenated derivatives of 4-O-glucosyl-3, 5-diprenyl-4-hydroxybenzoic acid ester with sucrose, dambonitol or glucose, from the seeds of Anodendron affine were elucidated by spectral methods.