8-Benzyl-18-cyclohexyl-12,38-dihydroxy-17-(hydroxymethylidene)-60-methyl-22,24-diazatridecacyclo[35.15.3.223,26.11,37.16,10.127,31.03,10.04,41.032,50.042,51.044,49.013,60.041,56]hexaconta-3,23(59),26(58),27,29,31(57),43,45,47,49,51,53-dodecaen-34-yne-14-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: 8-Benzyl-18-cyclohexyl-12,38-dihydroxy-17-(hydroxymethylidene)-60-methyl-22,24-diazatridecacyclo[35.15.3.223,26.11,37.16,10.127,31.03,10.04,41.032,50.042,51.044,49.013,60.041,56]hexaconta-3,23(59),26(58),27,29,31(57),43,45,47,49,51,53-dodecaen-34-yne-14-carboxylic acid
• 英文别名: 8-benzyl-18-cyclohexyl-12,38-dihydroxy-17-(hydroxymethylidene)-60-methyl-22,24-diazatridecacyclo[35.15.3.223,26.11,37.16,10.127,31.03,10.04,41.032,50.042,51.044,49.013,60.041,56]hexaconta-3,23(59),26(58),27,29,31(57),43,45,47,49,51,53-dodecaen-34-yne-14-carboxylic acid
• 化学式: C₇₄H₈₄N₂O₅
• 分子量: 1081.5
• InChiKey: PGEOBHZHIIXZLL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13
• 重原子数：
  81
• 可旋转键数：
  4
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  122
• 氢给体数：
  6
• 氢受体数：
  7