[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-disulfooxy-6-(sulfooxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,5-disulfooxy-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxy-6-dodecoxy-3,5-disulfooxy-tetrahydropyran-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: [(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-disulfooxy-6-(sulfooxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,5-disulfooxy-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxy-6-dodecoxy-3,5-disulfooxy-tetrahydropyran-2-yl]methyl hydrogen sulfate
• 英文别名: [(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-disulfooxy-6-(sulfooxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-disulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-dodecoxy-3,5-disulfooxyoxan-2-yl]methyl hydrogen sulfate
• 化学式: C₃₆H₆₆O₆₀S₁₃
• 分子量: 1875.7
• InChiKey: XEVFLBNTKOUCGA-JJKPRILUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -8.4
• 重原子数：
  109
• 可旋转键数：
  48
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  1010
• 氢给体数：
  13
• 氢受体数：
  60