16-Cyclohexyl-10,43-dihydroxy-15-(hydroxymethylidene)-7,44-dimethyl-47-(2-methylpropyl)-8-spiro[5,6,6a,7,7a,8,10,10a,11,11a-decahydrocyclopenta[b]phenanthrene-9,3'-cyclopentane]-1'-yl-20,22-diazaundecacyclo[29.16.2.221,24.11,40.125,29.03,8.04,40.07,11.032,37.039,49.044,50]tripentaconta-3,21(53),24(52),25,27,29(51),31,33,35,37,46,48-dodecaene-12-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: 16-Cyclohexyl-10,43-dihydroxy-15-(hydroxymethylidene)-7,44-dimethyl-47-(2-methylpropyl)-8-spiro[5,6,6a,7,7a,8,10,10a,11,11a-decahydrocyclopenta[b]phenanthrene-9,3'-cyclopentane]-1'-yl-20,22-diazaundecacyclo[29.16.2.221,24.11,40.125,29.03,8.04,40.07,11.032,37.039,49.044,50]tripentaconta-3,21(53),24(52),25,27,29(51),31,33,35,37,46,48-dodecaene-12-carboxylic acid
• 英文别名: 16-cyclohexyl-10,43-dihydroxy-15-(hydroxymethylidene)-7,44-dimethyl-47-(2-methylpropyl)-8-spiro[5,6,6a,7,7a,8,10,10a,11,11a-decahydrocyclopenta[b]phenanthrene-9,3'-cyclopentane]-1'-yl-20,22-diazaundecacyclo[29.16.2.221,24.11,40.125,29.03,8.04,40.07,11.032,37.039,49.044,50]tripentaconta-3,21(53),24(52),25,27,29(51),31,33,35,37,46,48-dodecaene-12-carboxylic acid
• 化学式: C₈₆H₁₀₈N₂O₅
• 分子量: 1249.8
• InChiKey: JYDRKBQSUKIZET-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18
• 重原子数：
  93
• 可旋转键数：
  5
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  122
• 氢给体数：
  6
• 氢受体数：
  7