27-Cyclohexyl-33,51-dihydroxy-39-[[4-(2-methoxyethyl)phenyl]methyl]-52,59-dimethyl-28-methylidene-21,23-diazatetradecacyclo[33.20.2.219,22.11,48.114,18.132,45.136,40.03,12.04,48.06,11.036,43.047,57.035,59.052,58]trihexaconta-2,5,7,9,11,14(63),15,17,19(62),22(61),41,47(57),54-tridecaene-31-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: 27-Cyclohexyl-33,51-dihydroxy-39-[[4-(2-methoxyethyl)phenyl]methyl]-52,59-dimethyl-28-methylidene-21,23-diazatetradecacyclo[33.20.2.219,22.11,48.114,18.132,45.136,40.03,12.04,48.06,11.036,43.047,57.035,59.052,58]trihexaconta-2,5,7,9,11,14(63),15,17,19(62),22(61),41,47(57),54-tridecaene-31-carboxylic acid
• 英文别名: 27-cyclohexyl-33,51-dihydroxy-39-[[4-(2-methoxyethyl)phenyl]methyl]-52,59-dimethyl-28-methylidene-21,23-diazatetradecacyclo[33.20.2.219,22.11,48.114,18.132,45.136,40.03,12.04,48.06,11.036,43.047,57.035,59.052,58]trihexaconta-2,5,7,9,11,14(63),15,17,19(62),22(61),41,47(57),54-tridecaene-31-carboxylic acid
• 化学式: C₈₁H₉₈N₂O₅
• 分子量: 1179.7
• InChiKey: LLOXPYPWJJIUIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.6
• 重原子数：
  88
• 可旋转键数：
  7
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  111
• 氢给体数：
  5
• 氢受体数：
  7