16'-Cyclohexyl-22',45'-dihydroxy-17'-(hydroxymethylidene)-5-phenylspiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,35'-10,12-diazaheptadecacyclo[44.16.3.24,7.28,11.221,34.131,50.05,62.021,27.023,32.027,32.030,42.033,37.041,46.041,50.042,53.052,61.055,60]doheptaconta-2,4,6,8(70),11(69),30,48,51,54,56,58,60,67,71-tetradecaen-38,63-diyne]-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-22',45'-dihydroxy-17'-(hydroxymethylidene)-5-phenylspiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,35'-10,12-diazaheptadecacyclo[44.16.3.24,7.28,11.221,34.131,50.05,62.021,27.023,32.027,32.030,42.033,37.041,46.041,50.042,53.052,61.055,60]doheptaconta-2,4,6,8(70),11(69),30,48,51,54,56,58,60,67,71-tetradecaen-38,63-diyne]-20'-carboxylic acid
• 英文别名: 16'-cyclohexyl-22',45'-dihydroxy-17'-(hydroxymethylidene)-5-phenylspiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,35'-10,12-diazaheptadecacyclo[44.16.3.24,7.28,11.221,34.131,50.05,62.021,27.023,32.027,32.030,42.033,37.041,46.041,50.042,53.052,61.055,60]doheptaconta-2,4,6,8(70),11(69),30,48,51,54,56,58,60,67,71-tetradecaen-38,63-diyne]-20'-carboxylic acid
• 化学式: C₉₂H₁₀₀N₂O₅
• 分子量: 1313.8
• InChiKey: XCNVXWWIXODFEW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.3
• 重原子数：
  99
• 可旋转键数：
  3
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  122
• 氢给体数：
  6
• 氢受体数：
  7