[(2R,3S,4R,5R,6R)-5,6-dihydroxy-4-[[(1R,3R,4R,5S,8S)-8-[(2S,3R,4R,5S,6R)-3-hydroxy-6-(hydroxymethyl)-4-[[(1R,3R,4R,5S,8S)-8-hydroxy-4-sulfooxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5-sulfooxyoxan-2-yl]oxy-4-sulfooxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-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,6R)-5,6-dihydroxy-4-[[(1R,3R,4R,5S,8S)-8-[(2S,3R,4R,5S,6R)-3-hydroxy-6-(hydroxymethyl)-4-[[(1R,3R,4R,5S,8S)-8-hydroxy-4-sulfooxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5-sulfooxyoxan-2-yl]oxy-4-sulfooxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
• 化学式: C₂₄H₃₈O₃₁S₄
• 分子量: 950.8
• InChiKey: QILNVJZKGZSQFJ-IXTYJRGDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -9.1
• 重原子数：
  59
• 可旋转键数：
  16
• 环数：
  6.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  492
• 氢给体数：
  10
• 氢受体数：
  31