[6-[5-Acetamido-6-[2-[5-acetamido-6-[5-acetamido-2,3,6-trihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(sulfooxymethyl)oxan-4-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-[5-acetamido-6-[5-acetamido-2,3,6-trihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(sulfooxymethyl)oxan-4-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-[5-acetamido-6-[5-acetamido-2,3,6-trihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(sulfooxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulfate
• 化学式: C₄₂H₇₃N₃O₃₇S₂
• 分子量: 1276.2
• InChiKey: ULHSNRUBINWYSM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -14.6
• 重原子数：
  84
• 可旋转键数：
  27
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  647
• 氢给体数：
  21
• 氢受体数：
  37