4-[2,5-dihydroxy-3-[3-[hydroxy-[(2R,3R,5R)-2-[[hydroxy-[(2R,3R,5R)-2-[[hydroxy-[(2R,3R,5R)-2-[[hydroxy-[(2R,3R,5R)-2-(hydroxymethyl)-5-pyren-1-yloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-pyren-1-yloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-pyren-1-yloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-pyren-1-yloxolan-3-yl]oxyphosphoryl]oxypropylsulfanyl]pyrrol-1-yl]butyl 4-[[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]benzoate

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 4-[2,5-dihydroxy-3-[3-[hydroxy-[(2R,3R,5R)-2-[[hydroxy-[(2R,3R,5R)-2-[[hydroxy-[(2R,3R,5R)-2-[[hydroxy-[(2R,3R,5R)-2-(hydroxymethyl)-5-pyren-1-yloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-pyren-1-yloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-pyren-1-yloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-pyren-1-yloxolan-3-yl]oxyphosphoryl]oxypropylsulfanyl]pyrrol-1-yl]butyl 4-[[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]benzoate
• 化学式: C114H103N3O25P4S+2
• 分子量: 2071.0
• InChiKey: XBIFDCJQXNAJIN-MGTZCJJASA-P

计算性质

• 辛醇/水分配系数(LogP)：
  18.4
• 重原子数：
  147
• 可旋转键数：
  38
• 环数：
  24.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  385
• 氢给体数：
  7
• 氢受体数：
  26