3'-Benzyl-21-cyclohexyl-48,59-dihydroxy-20-(hydroxymethylidene)-7,49-dimethyl-52-(2-methylpropyl)spiro[25,27-diazatridecacyclo[34.16.2.28,16.226,29.11,45.130,34.03,8.04,45.07,16.09,13.037,42.044,54.049,55]hexaconta-3,14,26(58),29(57),30,32,34(56),36,38,40,42,51,53-tridecaene-12,1'-cyclopentane]-17-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: 3'-Benzyl-21-cyclohexyl-48,59-dihydroxy-20-(hydroxymethylidene)-7,49-dimethyl-52-(2-methylpropyl)spiro[25,27-diazatridecacyclo[34.16.2.28,16.226,29.11,45.130,34.03,8.04,45.07,16.09,13.037,42.044,54.049,55]hexaconta-3,14,26(58),29(57),30,32,34(56),36,38,40,42,51,53-tridecaene-12,1'-cyclopentane]-17-carboxylic acid
• 英文别名: 3'-benzyl-21-cyclohexyl-48,59-dihydroxy-20-(hydroxymethylidene)-7,49-dimethyl-52-(2-methylpropyl)spiro[25,27-diazatridecacyclo[34.16.2.28,16.226,29.11,45.130,34.03,8.04,45.07,16.09,13.037,42.044,54.049,55]hexaconta-3,14,26(58),29(57),30,32,34(56),36,38,40,42,51,53-tridecaene-12,1'-cyclopentane]-17-carboxylic acid
• 化学式: C₈₃H₁₀₂N₂O₅
• 分子量: 1207.7
• InChiKey: BTKSIZKYEZRLKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.7
• 重原子数：
  90
• 可旋转键数：
  6
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  122
• 氢给体数：
  6
• 氢受体数：
  7