18-Cyclohexyl-12,38-dihydroxy-17-(hydroxymethylidene)-60-spiro[5,6,6a,7,7a,8,10,10a,11,11a-decahydrocyclopenta[b]phenanthrene-9,3'-cyclopentane]-1'-yl-22,24-diazatridecacyclo[35.15.3.223,26.11,37.13,7.127,31.04,41.07,13.032,50.042,51.044,49.011,60.041,56]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: 18-Cyclohexyl-12,38-dihydroxy-17-(hydroxymethylidene)-60-spiro[5,6,6a,7,7a,8,10,10a,11,11a-decahydrocyclopenta[b]phenanthrene-9,3'-cyclopentane]-1'-yl-22,24-diazatridecacyclo[35.15.3.223,26.11,37.13,7.127,31.04,41.07,13.032,50.042,51.044,49.011,60.041,56]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: 18-cyclohexyl-12,38-dihydroxy-17-(hydroxymethylidene)-60-spiro[5,6,6a,7,7a,8,10,10a,11,11a-decahydrocyclopenta[b]phenanthrene-9,3'-cyclopentane]-1'-yl-22,24-diazatridecacyclo[35.15.3.223,26.11,37.13,7.127,31.04,41.07,13.032,50.042,51.044,49.011,60.041,56]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: C₈₇H₁₀₂N₂O₅
• 分子量: 1255.7
• InChiKey: CDICGPQMUOFRMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.4
• 重原子数：
  94
• 可旋转键数：
  3
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  122
• 氢给体数：
  6
• 氢受体数：
  7