[(2R,3S,4R,5R,6S)-4-[[(1R,3R,4R,5S,8S)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-6-[[(1R,3R,4R,5S,8S)-3-[(2S,3R,4R,5S,6R)-2-[[(1R,3R,4R,5R,8S)-3-[(2R,3R,4R,5S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-3-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-4-sulfooxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(2R,3S,4R,5R,6S)-4-[[(1R,3R,4R,5S,8S)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-6-[[(1R,3R,4R,5S,8S)-3-[(2S,3R,4R,5S,6R)-2-[[(1R,3R,4R,5R,8S)-3-[(2R,3R,4R,5S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-3-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-4-sulfooxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
• 化学式: C₃₆H₅₆O₄₀S₄
• 分子量: 1257.1
• InChiKey: IUYCMNDNMFNXMN-OCOGHWHJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -12.4
• 重原子数：
  80
• 可旋转键数：
  21
• 环数：
  9.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  619
• 氢给体数：
  14
• 氢受体数：
  40