27-Cyclohexyl-33,53-dihydroxy-54,61-dimethyl-28-methylidene-57-(2-methylpropyl)-21,23-diazatetradecacyclo[33.22.2.219,22.11,50.114,18.132,35.03,12.04,50.06,11.036,45.038,43.049,59.047,61.054,60]tetrahexaconta-2,5,7,9,11,14(64),15,17,19(63),22(62),37,39,41,43,49(59),56-hexadecaene-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-33,53-dihydroxy-54,61-dimethyl-28-methylidene-57-(2-methylpropyl)-21,23-diazatetradecacyclo[33.22.2.219,22.11,50.114,18.132,35.03,12.04,50.06,11.036,45.038,43.049,59.047,61.054,60]tetrahexaconta-2,5,7,9,11,14(64),15,17,19(63),22(62),37,39,41,43,49(59),56-hexadecaene-31-carboxylic acid
• 英文别名: 27-cyclohexyl-33,53-dihydroxy-54,61-dimethyl-28-methylidene-57-(2-methylpropyl)-21,23-diazatetradecacyclo[33.22.2.219,22.11,50.114,18.132,35.03,12.04,50.06,11.036,45.038,43.049,59.047,61.054,60]tetrahexaconta-2,5,7,9,11,14(64),15,17,19(63),22(62),37,39,41,43,49(59),56-hexadecaene-31-carboxylic acid
• 化学式: C₇₆H₉₀N₂O₄
• 分子量: 1095.5
• InChiKey: GKNVUPFFJHJOEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14
• 重原子数：
  82
• 可旋转键数：
  4
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  102
• 氢给体数：
  5
• 氢受体数：
  6