(1R,3R,4S,7S,8S)-3-[(2R,3R,4S,5R,6R)-6-[[(1S,3R,4R,7S,8S)-1-carboxy-8-methoxy-3-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-8-methoxy-7-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-2,5-dioxabicyclo[2.2.2]octane-1-carboxylic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1R,3R,4S,7S,8S)-3-[(2R,3R,4S,5R,6R)-6-[[(1S,3R,4R,7S,8S)-1-carboxy-8-methoxy-3-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-8-methoxy-7-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-2,5-dioxabicyclo[2.2.2]octane-1-carboxylic acid
• 化学式: C₃₈H₆₀O₄₉S₇
• 分子量: 1525.3
• InChiKey: PJDZBKUKFKZAPO-RYDVMGNDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -10.4
• 重原子数：
  94
• 可旋转键数：
  33
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  735
• 氢给体数：
  9
• 氢受体数：
  49