2-[3'-[6-[3,6-Dimethyl-10-(2-phenylethyl)-4-azabicyclo[9.3.1]pentadeca-1(15),6,11,13-tetraen-9-yl]-1-hydroxyhepta-2,4,6-trien-2-yl]-2',7-dihydroxy-4-(2-hydroxyethyl)-7-[2-(methylamino)ethyl]spiro[bicyclo[3.3.1]non-2-ene-6,1'-cyclopentane]-9-ylidene]propanal

• 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: 2-[3'-[6-[3,6-Dimethyl-10-(2-phenylethyl)-4-azabicyclo[9.3.1]pentadeca-1(15),6,11,13-tetraen-9-yl]-1-hydroxyhepta-2,4,6-trien-2-yl]-2',7-dihydroxy-4-(2-hydroxyethyl)-7-[2-(methylamino)ethyl]spiro[bicyclo[3.3.1]non-2-ene-6,1'-cyclopentane]-9-ylidene]propanal
• 英文别名: 2-[3'-[6-[3,6-dimethyl-10-(2-phenylethyl)-4-azabicyclo[9.3.1]pentadeca-1(15),6,11,13-tetraen-9-yl]-1-hydroxyhepta-2,4,6-trien-2-yl]-2',7-dihydroxy-4-(2-hydroxyethyl)-7-[2-(methylamino)ethyl]spiro[bicyclo[3.3.1]non-2-ene-6,1'-cyclopentane]-9-ylidene]propanal
• 化学式: C₅₂H₇₀N₂O₅
• 分子量: 803.1
• InChiKey: DITHSGNSWNYCTL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  59
• 可旋转键数：
  14
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  122
• 氢给体数：
  6
• 氢受体数：
  7