2-[4-[2-[2-[[[4-[2-[4-[[5,8-Dihydroxy-2-(hydroxymethyl)-3,7-dioxabicyclo[4.1.1]octan-4-yl]oxy]phenyl]ethynyl]-6-[(dipropylamino)methyl]pyridin-2-yl]methyl-[2-(4-methylphenyl)ethyl]amino]methyl]-6-[(dipropylamino)methyl]pyridin-4-yl]ethynyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[4-[2-[2-[[[4-[2-[4-[[5,8-Dihydroxy-2-(hydroxymethyl)-3,7-dioxabicyclo[4.1.1]octan-4-yl]oxy]phenyl]ethynyl]-6-[(dipropylamino)methyl]pyridin-2-yl]methyl-[2-(4-methylphenyl)ethyl]amino]methyl]-6-[(dipropylamino)methyl]pyridin-4-yl]ethynyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• 英文别名: 2-[4-[2-[2-[[[4-[2-[4-[[5,8-dihydroxy-2-(hydroxymethyl)-3,7-dioxabicyclo[4.1.1]octan-4-yl]oxy]phenyl]ethynyl]-6-[(dipropylamino)methyl]pyridin-2-yl]methyl-[2-(4-methylphenyl)ethyl]amino]methyl]-6-[(dipropylamino)methyl]pyridin-4-yl]ethynyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• 化学式: C₆₄H₈₁N₅O₁₂
• 分子量: 1112.4
• InChiKey: LWAWGBFAGNPBEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  81
• 可旋转键数：
  29
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  223
• 氢给体数：
  7
• 氢受体数：
  17