2-[[35-Cyclohexyl-3,26,32,33-tetrahydroxy-20-imidazol-1-yl-18,18,39-trimethyl-31-(methylaminomethyl)-29-oxospiro[22,23-dithianonacyclo[23.14.1.12,6.04,17.05,10.011,16.026,39.027,36.030,35]hentetraconta-5(10),16,27-triene-12,1'-cyclopentane]-37-yl]methyl]-1-(1-hydroxyethyl)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-[[35-Cyclohexyl-3,26,32,33-tetrahydroxy-20-imidazol-1-yl-18,18,39-trimethyl-31-(methylaminomethyl)-29-oxospiro[22,23-dithianonacyclo[23.14.1.12,6.04,17.05,10.011,16.026,39.027,36.030,35]hentetraconta-5(10),16,27-triene-12,1'-cyclopentane]-37-yl]methyl]-1-(1-hydroxyethyl)guanidine
• 英文别名: 2-[[35-cyclohexyl-3,26,32,33-tetrahydroxy-20-imidazol-1-yl-18,18,39-trimethyl-31-(methylaminomethyl)-29-oxospiro[22,23-dithianonacyclo[23.14.1.12,6.04,17.05,10.011,16.026,39.027,36.030,35]hentetraconta-5(10),16,27-triene-12,1'-cyclopentane]-37-yl]methyl]-1-(1-hydroxyethyl)guanidine
• 化学式: C₆₁H₉₂N₆O₆S₂
• 分子量: 1069.6
• InChiKey: NYKCUWDMSYAHHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  75
• 可旋转键数：
  8
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  249
• 氢给体数：
  8
• 氢受体数：
  11