14-Benzyl-28-cyclohexyl-22,48-dihydroxy-27-(hydroxymethylidene)-70-methyl-10,11-dithia-32,34-diazahexadecacyclo[45.15.3.233,36.11,47.16,20.113,16.116,19.137,41.03,20.04,51.08,19.042,60.052,61.054,59.023,70.051,66]doheptaconta-3,33(69),36(68),37,39,41(67),53,55,57,59,61,63-dodecaen-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: 14-Benzyl-28-cyclohexyl-22,48-dihydroxy-27-(hydroxymethylidene)-70-methyl-10,11-dithia-32,34-diazahexadecacyclo[45.15.3.233,36.11,47.16,20.113,16.116,19.137,41.03,20.04,51.08,19.042,60.052,61.054,59.023,70.051,66]doheptaconta-3,33(69),36(68),37,39,41(67),53,55,57,59,61,63-dodecaen-44-yne-24-carboxylic acid
• 英文别名: 14-benzyl-28-cyclohexyl-22,48-dihydroxy-27-(hydroxymethylidene)-70-methyl-10,11-dithia-32,34-diazahexadecacyclo[45.15.3.233,36.11,47.16,20.113,16.116,19.137,41.03,20.04,51.08,19.042,60.052,61.054,59.023,70.051,66]doheptaconta-3,33(69),36(68),37,39,41(67),53,55,57,59,61,63-dodecaen-44-yne-24-carboxylic acid
• 化学式: C₈₄H₉₈N₂O₅S₂
• 分子量: 1279.8
• InChiKey: BIEGUHRVIKSVNM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.6
• 重原子数：
  93
• 可旋转键数：
  4
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  173
• 氢给体数：
  6
• 氢受体数：
  9