32-(Diaminomethylideneamino)-12-hydroxy-32-[2-(1-hydroxycyclohexyl)ethyl]-6-(hydroxymethyl)-23-methyl-31,40-dioxaoctacyclo[31.2.2.13,17.15,16.126,30.02,19.010,15.022,27]tetraconta-1(35),10(15),11,13,17,26,28,30(38),33,36-decaen-8-yne-20-sulfonic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 32-(Diaminomethylideneamino)-12-hydroxy-32-[2-(1-hydroxycyclohexyl)ethyl]-6-(hydroxymethyl)-23-methyl-31,40-dioxaoctacyclo[31.2.2.13,17.15,16.126,30.02,19.010,15.022,27]tetraconta-1(35),10(15),11,13,17,26,28,30(38),33,36-decaen-8-yne-20-sulfonic acid
• 英文别名: 32-(diaminomethylideneamino)-12-hydroxy-32-[2-(1-hydroxycyclohexyl)ethyl]-6-(hydroxymethyl)-23-methyl-31,40-dioxaoctacyclo[31.2.2.13,17.15,16.126,30.02,19.010,15.022,27]tetraconta-1(35),10(15),11,13,17,26,28,30(38),33,36-decaen-8-yne-20-sulfonic acid
• 化学式: C₄₉H₅₉N₃O₈S
• 分子量: 850.1
• InChiKey: MSOAJWWHLITFLL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  61
• 可旋转键数：
  6
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  206
• 氢给体数：
  6
• 氢受体数：
  9