28-Cyclohexyl-22,65-dihydroxy-19-methyl-27-methylidene-6,7-dithia-32,34-diazapentadecacyclo[45.15.3.233,36.11,47.12,18.116,20.137,41.03,20.04,51.09,14.019,23.042,54.053,62.055,60.051,66]henheptaconta-2,9,11,13,33(69),36(68),37,39,41(67),49,52,54,56,58,60-pentadecaen-44-yne-24-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: 28-Cyclohexyl-22,65-dihydroxy-19-methyl-27-methylidene-6,7-dithia-32,34-diazapentadecacyclo[45.15.3.233,36.11,47.12,18.116,20.137,41.03,20.04,51.09,14.019,23.042,54.053,62.055,60.051,66]henheptaconta-2,9,11,13,33(69),36(68),37,39,41(67),49,52,54,56,58,60-pentadecaen-44-yne-24-carboxylic acid
• 英文别名: 28-cyclohexyl-22,65-dihydroxy-19-methyl-27-methylidene-6,7-dithia-32,34-diazapentadecacyclo[45.15.3.233,36.11,47.12,18.116,20.137,41.03,20.04,51.09,14.019,23.042,54.053,62.055,60.051,66]henheptaconta-2,9,11,13,33(69),36(68),37,39,41(67),49,52,54,56,58,60-pentadecaen-44-yne-24-carboxylic acid
• 化学式: C₇₆H₈₆N₂O₄S₂
• 分子量: 1155.6
• InChiKey: MWSFSNDOKLVCLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.8
• 重原子数：
  84
• 可旋转键数：
  2
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  152
• 氢给体数：
  5
• 氢受体数：
  8