2-[12-(1-Cyclohexylethyl)-5,6,40-trihydroxy-17-(hydroxymethyl)-35-methoxycarbonyl-2,25,39,44-tetraoxa-13-azaundecacyclo[19.18.2.226,37.14,15.01,6.03,21.03,24.04,9.010,14.029,37.033,38]tetratetraconta-9,11,14,31,35,42-hexaen-19-yn-34-yl]acetic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[12-(1-Cyclohexylethyl)-5,6,40-trihydroxy-17-(hydroxymethyl)-35-methoxycarbonyl-2,25,39,44-tetraoxa-13-azaundecacyclo[19.18.2.226,37.14,15.01,6.03,21.03,24.04,9.010,14.029,37.033,38]tetratetraconta-9,11,14,31,35,42-hexaen-19-yn-34-yl]acetic acid
• 英文别名: 2-[12-(1-cyclohexylethyl)-5,6,40-trihydroxy-17-(hydroxymethyl)-35-methoxycarbonyl-2,25,39,44-tetraoxa-13-azaundecacyclo[19.18.2.226,37.14,15.01,6.03,21.03,24.04,9.010,14.029,37.033,38]tetratetraconta-9,11,14,31,35,42-hexaen-19-yn-34-yl]acetic acid
• 化学式: C₅₂H₆₃NO₁₂
• 分子量: 894.1
• InChiKey: WHONANHFDIOHNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  65
• 可旋转键数：
  7
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  194
• 氢给体数：
  6
• 氢受体数：
  13