16-Cyclohexyl-45,66-dihydroxy-17-(hydroxymethylidene)-32-methylspiro[10,12-diazaheptadecacyclo[42.14.3.24,7.28,11.221,33.131,35.134,40.136,40.05,58.021,32.024,28.028,33.036,47.037,50.038,57.051,56.044,62]heptaconta-2,4,6,8(68),11(67),22,34,38,41,48,50,52,54,56,69-pentadecaen-59-yne-25,9'-5,6,6a,7,7a,8,10,10a,11,11a-decahydrocyclopenta[b]phenanthrene]-20-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-45,66-dihydroxy-17-(hydroxymethylidene)-32-methylspiro[10,12-diazaheptadecacyclo[42.14.3.24,7.28,11.221,33.131,35.134,40.136,40.05,58.021,32.024,28.028,33.036,47.037,50.038,57.051,56.044,62]heptaconta-2,4,6,8(68),11(67),22,34,38,41,48,50,52,54,56,69-pentadecaen-59-yne-25,9'-5,6,6a,7,7a,8,10,10a,11,11a-decahydrocyclopenta[b]phenanthrene]-20-carboxylic acid
• 英文别名: 16-cyclohexyl-45,66-dihydroxy-17-(hydroxymethylidene)-32-methylspiro[10,12-diazaheptadecacyclo[42.14.3.24,7.28,11.221,33.131,35.134,40.136,40.05,58.021,32.024,28.028,33.036,47.037,50.038,57.051,56.044,62]heptaconta-2,4,6,8(68),11(67),22,34,38,41,48,50,52,54,56,69-pentadecaen-59-yne-25,9'-5,6,6a,7,7a,8,10,10a,11,11a-decahydrocyclopenta[b]phenanthrene]-20-carboxylic acid
• 化学式: C₉₃H₁₀₂N₂O₅
• 分子量: 1327.8
• InChiKey: ANFFPOPWSUWMER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.3
• 重原子数：
  100
• 可旋转键数：
  2
• 环数：
  24.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  122
• 氢给体数：
  6
• 氢受体数：
  7