18-Cyclohexyl-12,45-dihydroxy-4'-[[4-(2-methoxyethyl)phenyl]methyl]-46,56-dimethyl-38-(3-methylbutyl)-17-methylidenespiro[22,24-diazadodecacyclo[31.16.2.223,26.11,42.16,10.127,31.03,10.04,42.034,39.041,51.013,56.046,52]hexapentaconta-3,23(55),26(54),27,29,31(53),33,35,37,39,48,50-dodecaene-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-4'-[[4-(2-methoxyethyl)phenyl]methyl]-46,56-dimethyl-38-(3-methylbutyl)-17-methylidenespiro[22,24-diazadodecacyclo[31.16.2.223,26.11,42.16,10.127,31.03,10.04,42.034,39.041,51.013,56.046,52]hexapentaconta-3,23(55),26(54),27,29,31(53),33,35,37,39,48,50-dodecaene-9,1'-cyclohexane]-14-carboxylic acid
• 英文别名: 18-cyclohexyl-12,45-dihydroxy-4'-[[4-(2-methoxyethyl)phenyl]methyl]-46,56-dimethyl-38-(3-methylbutyl)-17-methylidenespiro[22,24-diazadodecacyclo[31.16.2.223,26.11,42.16,10.127,31.03,10.04,42.034,39.041,51.013,56.046,52]hexapentaconta-3,23(55),26(54),27,29,31(53),33,35,37,39,48,50-dodecaene-9,1'-cyclohexane]-14-carboxylic acid
• 化学式: C₈₄H₁₀₈N₂O₅
• 分子量: 1225.8
• InChiKey: BPISPGGKSWUHLC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.6
• 重原子数：
  91
• 可旋转键数：
  10
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  111
• 氢给体数：
  5
• 氢受体数：
  7