[6-[5-Acetamido-6-[2-acetamido-6-[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,4,5-trihydroxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulfate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [6-[5-Acetamido-6-[2-acetamido-6-[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,4,5-trihydroxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulfate
• 英文别名: [6-[5-acetamido-6-[2-acetamido-6-[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,4,5-trihydroxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulfate
• 化学式: C₃₆H₆₃N₃O₃₂S₂
• 分子量: 1114.0
• InChiKey: CLQBIQCUYFRMEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -13
• 重原子数：
  73
• 可旋转键数：
  24
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  568
• 氢给体数：
  18
• 氢受体数：
  32