N-[(2S,3S,5S)-5-[(2S,4R,5S)-3-acetamido-5-[(2S,3R,5R)-4-[(2R,5S,6R)-3-[(2S,4R,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2R,4S)-2,3,4,6-tetrahydroxy-5-methylhexyl]peroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,5S)-3-[(2S,5S,6S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-[(2S,3S,5S)-5-[(2S,4R,5S)-3-acetamido-5-[(2S,3R,5R)-4-[(2R,5S,6R)-3-[(2S,4R,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2R,4S)-2,3,4,6-tetrahydroxy-5-methylhexyl]peroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,5S)-3-[(2S,5S,6S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
• 化学式: C₆₄H₁₁₀N₄O₄₅
• 分子量: 1655.6
• InChiKey: PHKBJINQKSYKGC-VHFGIOGDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -16.7
• 重原子数：
  113
• 可旋转键数：
  34
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  759
• 氢给体数：
  28
• 氢受体数：
  45

文献信息

• US8765669B2
  申请人：——

  公开号：US8765669B2

  公开（公告）日：2014-07-01