52-Cyclohexyl-24,62-dihydroxy-51-(hydroxymethylidene)-23-methyl-3'-(2-phenylethyl)spiro[56,58-diazapentadecacyclo[55.2.2.12,6.119,23.135,47.136,41.08,17.09,14.016,27.019,38.028,37.031,36.031,47.027,64.044,63]pentahexaconta-1(60),2,4,6(65),8,10,12,14,17,20,28(37),45,57(61)-tridecaene-43,1'-cyclopentane]-48-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: 52-Cyclohexyl-24,62-dihydroxy-51-(hydroxymethylidene)-23-methyl-3'-(2-phenylethyl)spiro[56,58-diazapentadecacyclo[55.2.2.12,6.119,23.135,47.136,41.08,17.09,14.016,27.019,38.028,37.031,36.031,47.027,64.044,63]pentahexaconta-1(60),2,4,6(65),8,10,12,14,17,20,28(37),45,57(61)-tridecaene-43,1'-cyclopentane]-48-carboxylic acid
• 英文别名: 52-cyclohexyl-24,62-dihydroxy-51-(hydroxymethylidene)-23-methyl-3'-(2-phenylethyl)spiro[56,58-diazapentadecacyclo[55.2.2.12,6.119,23.135,47.136,41.08,17.09,14.016,27.019,38.028,37.031,36.031,47.027,64.044,63]pentahexaconta-1(60),2,4,6(65),8,10,12,14,17,20,28(37),45,57(61)-tridecaene-43,1'-cyclopentane]-48-carboxylic acid
• 化学式: C₈₄H₁₀₀N₂O₅
• 分子量: 1217.7
• InChiKey: KWIJBVILBJZXRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.1
• 重原子数：
  91
• 可旋转键数：
  5
• 环数：
  22.0
• 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