3-[1-(2,3-Dihydroxypropoxy)-6-[3-[3-(2-hydroxypropylamino)cyclohexyl]-3-(2-methoxyethyl)-6-methyl-4-azabicyclo[9.3.1]pentadeca-1(14),6,11(15),12-tetraen-9-yl]hepta-2,4,6-trien-2-yl]-2,12'-dihydroxy-8'-(2-hydroxyethyl)-12'-[2-(methylamino)ethyl]spiro[cyclopentane-1,13'-tricyclo[5.3.3.01,6]trideca-5,9-diene]-5'-carbaldehyde

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 3-[1-(2,3-Dihydroxypropoxy)-6-[3-[3-(2-hydroxypropylamino)cyclohexyl]-3-(2-methoxyethyl)-6-methyl-4-azabicyclo[9.3.1]pentadeca-1(14),6,11(15),12-tetraen-9-yl]hepta-2,4,6-trien-2-yl]-2,12'-dihydroxy-8'-(2-hydroxyethyl)-12'-[2-(methylamino)ethyl]spiro[cyclopentane-1,13'-tricyclo[5.3.3.01,6]trideca-5,9-diene]-5'-carbaldehyde
• 英文别名: 3-[1-(2,3-dihydroxypropoxy)-6-[3-[3-(2-hydroxypropylamino)cyclohexyl]-3-(2-methoxyethyl)-6-methyl-4-azabicyclo[9.3.1]pentadeca-1(14),6,11(15),12-tetraen-9-yl]hepta-2,4,6-trien-2-yl]-2,12'-dihydroxy-8'-(2-hydroxyethyl)-12'-[2-(methylamino)ethyl]spiro[cyclopentane-1,13'-tricyclo[5.3.3.01,6]trideca-5,9-diene]-5'-carbaldehyde
• 化学式: C₆₀H₉₁N₃O₉
• 分子量: 998.4
• InChiKey: NQXCHVHSIRKMST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  72
• 可旋转键数：
  22
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  193
• 氢给体数：
  9
• 氢受体数：
  12