{3-[5-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yloxy)-3-hydroxy-6-methyl-4-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy]-4,5-dihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy}-acetaldehyde | 163275-12-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: {3-[5-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yloxy)-3-hydroxy-6-methyl-4-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy]-4,5-dihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy}-acetaldehyde
• CAS: 163275-12-5
• 化学式: C₂₅H₄₂O₂₀
• 分子量: 662.596
• InChiKey: CTVAQTKVCVJRMP-MAHLGVARSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -7.86
• 重原子数：
  45.0
• 可旋转键数：
  12.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  313.44
• 氢给体数：
  11.0
• 氢受体数：
  20.0

反应信息

• 作为反应物：
  描述：

  {3-[5-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yloxy)-3-hydroxy-6-methyl-4-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy]-4,5-dihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy}-acetaldehyde 在 盐酸 、 sodium acetate 、 sodium cyanoborohydride 作用下， 以 甲醇 为溶剂， 反应 73.5h， 生成 N-decanoyl-1-decylaminoethyl-2-O-α-L-arabinofuranosyl-(1->4)-[β-D-glucopyranosyl-(1->3)]-α-L-rhamnopyranosyl-(1->2)-α-D-glucopyranoside
  参考文献：
  名称：

  Synthesis of Neosaponins Carrying Oligosaccharides from Natural Products

  摘要：

  DOI：

  10.3987/com-99-8612
• 作为产物：
  描述：

  allyl α-L-arabinofuranosyl-(1->4)-[β-D-glucopyranosyl-(1->3)]-α-L-rhamnopyranosyl-(1->2)-α-D-glucopyranoside 在 臭氧 、 二甲基硫 作用下， 以 甲醇 为溶剂， 生成 {3-[5-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yloxy)-3-hydroxy-6-methyl-4-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy]-4,5-dihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy}-acetaldehyde
  参考文献：
  名称：

  Synthesis of Neosaponins Carrying Oligosaccharides from Natural Products

  摘要：

  DOI：

  10.3987/com-99-8612