21-Cyclohexyl-48,61-dihydroxy-20-(hydroxymethylidene)-7,49-dimethyl-3'-[(2-pentylphenyl)methyl]spiro[25,27-diazatetradecacyclo[47.5.3.28,16.226,29.130,34.01,50.03,8.04,51.07,16.09,13.036,53.037,42.043,52.046,51]dohexaconta-3,14,26(60),29(59),30,32,34(58),36,38,40,42,44,53,55-tetradecaene-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: 21-Cyclohexyl-48,61-dihydroxy-20-(hydroxymethylidene)-7,49-dimethyl-3'-[(2-pentylphenyl)methyl]spiro[25,27-diazatetradecacyclo[47.5.3.28,16.226,29.130,34.01,50.03,8.04,51.07,16.09,13.036,53.037,42.043,52.046,51]dohexaconta-3,14,26(60),29(59),30,32,34(58),36,38,40,42,44,53,55-tetradecaene-12,1'-cyclopentane]-17-carboxylic acid
• 英文别名: 21-cyclohexyl-48,61-dihydroxy-20-(hydroxymethylidene)-7,49-dimethyl-3'-[(2-pentylphenyl)methyl]spiro[25,27-diazatetradecacyclo[47.5.3.28,16.226,29.130,34.01,50.03,8.04,51.07,16.09,13.036,53.037,42.043,52.046,51]dohexaconta-3,14,26(60),29(59),30,32,34(58),36,38,40,42,44,53,55-tetradecaene-12,1'-cyclopentane]-17-carboxylic acid
• 化学式: C₈₆H₁₀₄N₂O₅
• 分子量: 1245.8
• InChiKey: WKJIGDCNBZJSMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.8
• 重原子数：
  93
• 可旋转键数：
  8
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  122
• 氢给体数：
  6
• 氢受体数：
  7