2-[[7'a-(1,2,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydropyrido[3,4-g]quinolin-10-ylmethyl)-6'-[6-[2-[[2-amino-4-[2-[3-(2-phenylethyl)phenyl]ethyl]-1,2-dihydropyridin-5-yl]methyl]-4-hydroxy-5-methoxyphenyl]-7-hydroxy-2,4-dioxohept-5-enyl]-2'-(2-hydroxypropylamino)-3-phenylspiro[2,3,4,5,5a,6,8,8a-octahydro-1H-cyclopenta[b]azepine-7,3'-2,3a,4,5,6,7-hexahydro-1H-indene]-5-yl]methyl]guanidine

• 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-[[7'a-(1,2,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydropyrido[3,4-g]quinolin-10-ylmethyl)-6'-[6-[2-[[2-amino-4-[2-[3-(2-phenylethyl)phenyl]ethyl]-1,2-dihydropyridin-5-yl]methyl]-4-hydroxy-5-methoxyphenyl]-7-hydroxy-2,4-dioxohept-5-enyl]-2'-(2-hydroxypropylamino)-3-phenylspiro[2,3,4,5,5a,6,8,8a-octahydro-1H-cyclopenta[b]azepine-7,3'-2,3a,4,5,6,7-hexahydro-1H-indene]-5-yl]methyl]guanidine
• 化学式: C₇₇H₁₀₃N₉O₆
• 分子量: 1250.7
• InChiKey: ACUSUNOVTVZXIX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  92
• 可旋转键数：
  24
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  255
• 氢给体数：
  11
• 氢受体数：
  13