2-[2',7-Dihydroxy-4-(2-hydroxyethyl)-3'-[1-hydroxy-6-[3-(2-methoxyethyl)-6-methyl-3-[2-(methylamino)ethyl]-4-azabicyclo[9.3.1]pentadeca-1(14),6,11(15),12-tetraen-9-yl]hepta-2,4,6-trien-2-yl]-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-[2',7-Dihydroxy-4-(2-hydroxyethyl)-3'-[1-hydroxy-6-[3-(2-methoxyethyl)-6-methyl-3-[2-(methylamino)ethyl]-4-azabicyclo[9.3.1]pentadeca-1(14),6,11(15),12-tetraen-9-yl]hepta-2,4,6-trien-2-yl]-7-[2-(methylamino)ethyl]spiro[bicyclo[3.3.1]non-2-ene-6,1'-cyclopentane]-9-ylidene]propanal
• 英文别名: 2-[2',7-dihydroxy-4-(2-hydroxyethyl)-3'-[1-hydroxy-6-[3-(2-methoxyethyl)-6-methyl-3-[2-(methylamino)ethyl]-4-azabicyclo[9.3.1]pentadeca-1(14),6,11(15),12-tetraen-9-yl]hepta-2,4,6-trien-2-yl]-7-[2-(methylamino)ethyl]spiro[bicyclo[3.3.1]non-2-ene-6,1'-cyclopentane]-9-ylidene]propanal
• 化学式: C₄₉H₇₃N₃O₆
• 分子量: 800.1
• InChiKey: CZJIEDQMUAGKDR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  58
• 可旋转键数：
  17
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  143
• 氢给体数：
  7
• 氢受体数：
  9