[(2S,3R,4R,5R,6S)-3-[(2R,3R,4R,5S,6R)-5-[(2S,3S,4R,5S,6R)-3-acetamido-5-[[(2S,3R,4R,5R,6S)-3-[(2R,3R,4R,5S,6R)-5-[(2S,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-hydroxyphosphoryl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl] [(2R,3S,4R,5S,6S)-5-acetamido-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen phosphate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(2S,3R,4R,5R,6S)-3-[(2R,3R,4R,5S,6R)-5-[(2S,3S,4R,5S,6R)-3-acetamido-5-[[(2S,3R,4R,5R,6S)-3-[(2R,3R,4R,5S,6R)-5-[(2S,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-hydroxyphosphoryl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl] [(2R,3S,4R,5S,6S)-5-acetamido-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen phosphate
• 化学式: C₆₀H₁₀₃N₃O₄₉P₂
• 分子量: 1712.4
• InChiKey: AICUNZLGKMORAK-JKRIGHHRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -18.8
• 重原子数：
  114
• 可旋转键数：
  29
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  803
• 氢给体数：
  28
• 氢受体数：
  49