18-Cyclohexyl-12,45-dihydroxy-17-(hydroxymethylidene)-4'-[[4-(2-methoxyethyl)phenyl]methyl]-46,58-dimethyl-52-(2-methylpropyl)spiro[22,24-diazatridecacyclo[44.5.3.223,26.16,10.127,31.01,47.03,10.04,48.033,50.034,39.040,49.043,48.013,58]octapentaconta-3,23(57),26(56),27,29,31(55),33,35,37,39,41,50,52-tridecaene-9,1'-cyclohexane]-14-carboxylic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 18-Cyclohexyl-12,45-dihydroxy-17-(hydroxymethylidene)-4'-[[4-(2-methoxyethyl)phenyl]methyl]-46,58-dimethyl-52-(2-methylpropyl)spiro[22,24-diazatridecacyclo[44.5.3.223,26.16,10.127,31.01,47.03,10.04,48.033,50.034,39.040,49.043,48.013,58]octapentaconta-3,23(57),26(56),27,29,31(55),33,35,37,39,41,50,52-tridecaene-9,1'-cyclohexane]-14-carboxylic acid
• 英文别名: 18-cyclohexyl-12,45-dihydroxy-17-(hydroxymethylidene)-4'-[[4-(2-methoxyethyl)phenyl]methyl]-46,58-dimethyl-52-(2-methylpropyl)spiro[22,24-diazatridecacyclo[44.5.3.223,26.16,10.127,31.01,47.03,10.04,48.033,50.034,39.040,49.043,48.013,58]octapentaconta-3,23(57),26(56),27,29,31(55),33,35,37,39,41,50,52-tridecaene-9,1'-cyclohexane]-14-carboxylic acid
• 化学式: C₈₅H₁₀₆N₂O₆
• 分子量: 1251.8
• InChiKey: HWSGTJFUOGDTBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.1
• 重原子数：
  93
• 可旋转键数：
  9
• 环数：
  20.0
• 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