3-[6-[3-Cyclohexyl-3-(2-methoxyethyl)-6-methyl-4-azabicyclo[9.3.1]pentadeca-1(14),6,11(15),12-tetraen-9-yl]-1-(2,3-dihydroxypropoxy)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-[6-[3-Cyclohexyl-3-(2-methoxyethyl)-6-methyl-4-azabicyclo[9.3.1]pentadeca-1(14),6,11(15),12-tetraen-9-yl]-1-(2,3-dihydroxypropoxy)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-[6-[3-cyclohexyl-3-(2-methoxyethyl)-6-methyl-4-azabicyclo[9.3.1]pentadeca-1(14),6,11(15),12-tetraen-9-yl]-1-(2,3-dihydroxypropoxy)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: C₅₇H₈₄N₂O₈
• 分子量: 925.3
• InChiKey: WXQVGGRUYWUPNJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  67
• 可旋转键数：
  19
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  161
• 氢给体数：
  7
• 氢受体数：
  10