12-[1-(4,7-Dihydroxynaphthalen-1-yl)-2,3,4,5,6-pentahydroxyhexan-2-yl]-27-ethyl-22-methyl-13,14,23,52-tetraoxa-5,26,30,41-tetrazatridecacyclo[34.12.3.217,46.126,29.128,31.135,39.01,44.03,8.04,47.015,46.019,24.039,43.025,53]hexapentaconta-17,19(24),21,25(53),27,29(56),31(55)-heptaen-10,49-diyne-20,40-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 12-[1-(4,7-Dihydroxynaphthalen-1-yl)-2,3,4,5,6-pentahydroxyhexan-2-yl]-27-ethyl-22-methyl-13,14,23,52-tetraoxa-5,26,30,41-tetrazatridecacyclo[34.12.3.217,46.126,29.128,31.135,39.01,44.03,8.04,47.015,46.019,24.039,43.025,53]hexapentaconta-17,19(24),21,25(53),27,29(56),31(55)-heptaen-10,49-diyne-20,40-dione
• 英文别名: 12-[1-(4,7-dihydroxynaphthalen-1-yl)-2,3,4,5,6-pentahydroxyhexan-2-yl]-27-ethyl-22-methyl-13,14,23,52-tetraoxa-5,26,30,41-tetrazatridecacyclo[34.12.3.217,46.126,29.128,31.135,39.01,44.03,8.04,47.015,46.019,24.039,43.025,53]hexapentaconta-17,19(24),21,25(53),27,29(56),31(55)-heptaen-10,49-diyne-20,40-dione
• 化学式: C₆₇H₇₄N₄O₁₃
• 分子量: 1143.3
• InChiKey: VDOVDFLOWGVAOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  84
• 可旋转键数：
  8
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  257
• 氢给体数：
  10
• 氢受体数：
  14