1-(1,2,4a,5,5a,6,7,8,9,9a,10,10a-Dodecahydropyrido[3,4-g]quinolin-10-ylmethyl)-15,23-diamino-30-hydroxy-34-(hydroxymethyl)-3-(2-hydroxypropylamino)-31-methoxy-10-phenyl-20-[[3-(2-phenylethyl)phenyl]methyl]-14,16,24-triazaheptacyclo[38.3.1.14,7.04,43.06,12.021,26.028,33]pentatetraconta-8,15,21,25,28,30,32,34-octaen-17-yne-36,38-dione

• 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: 1-(1,2,4a,5,5a,6,7,8,9,9a,10,10a-Dodecahydropyrido[3,4-g]quinolin-10-ylmethyl)-15,23-diamino-30-hydroxy-34-(hydroxymethyl)-3-(2-hydroxypropylamino)-31-methoxy-10-phenyl-20-[[3-(2-phenylethyl)phenyl]methyl]-14,16,24-triazaheptacyclo[38.3.1.14,7.04,43.06,12.021,26.028,33]pentatetraconta-8,15,21,25,28,30,32,34-octaen-17-yne-36,38-dione
• 英文别名: 1-(1,2,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydropyrido[3,4-g]quinolin-10-ylmethyl)-15,23-diamino-30-hydroxy-34-(hydroxymethyl)-3-(2-hydroxypropylamino)-31-methoxy-10-phenyl-20-[[3-(2-phenylethyl)phenyl]methyl]-14,16,24-triazaheptacyclo[38.3.1.14,7.04,43.06,12.021,26.028,33]pentatetraconta-8,15,21,25,28,30,32,34-octaen-17-yne-36,38-dione
• 化学式: C₈₁H₁₀₂N₈O₆
• 分子量: 1283.7
• InChiKey: GSLACGCWMVIWNZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.9
• 重原子数：
  95
• 可旋转键数：
  13
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  229
• 氢给体数：
  10
• 氢受体数：
  12