2-[3'-[6-(3,6-Dimethyl-4-azabicyclo[9.3.1]pentadeca-1(15),6,11,13-tetraen-9-yl)-1-(2-hydroxyethoxy)hepta-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-4-azabicyclo[9.3.1]pentadeca-1(15),6,11,13-tetraen-9-yl)-1-(2-hydroxyethoxy)hepta-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-4-azabicyclo[9.3.1]pentadeca-1(15),6,11,13-tetraen-9-yl)-1-(2-hydroxyethoxy)hepta-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: C₄₆H₆₆N₂O₆
• 分子量: 743.0
• InChiKey: KXANWWIOPIKGQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  54
• 可旋转键数：
  14
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  131
• 氢给体数：
  6
• 氢受体数：
  8