15-[1-(4,7-Dihydroxynaphthalen-1-yl)-2,3,4,5,6-pentahydroxyhexan-2-yl]-30-ethyl-25-methylspiro[16,17,26,49-tetraoxa-8,29,33,44-tetrazadodecacyclo[26.20.2.129,32.131,34.138,42.01,18.02,7.04,47.06,11.020,50.022,27.042,46]tripentaconta-20,22(27),24,28(50),30,32(53),34(52)-heptaen-13-yne-9,1'-cyclopentane]-23,43-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: 15-[1-(4,7-Dihydroxynaphthalen-1-yl)-2,3,4,5,6-pentahydroxyhexan-2-yl]-30-ethyl-25-methylspiro[16,17,26,49-tetraoxa-8,29,33,44-tetrazadodecacyclo[26.20.2.129,32.131,34.138,42.01,18.02,7.04,47.06,11.020,50.022,27.042,46]tripentaconta-20,22(27),24,28(50),30,32(53),34(52)-heptaen-13-yne-9,1'-cyclopentane]-23,43-dione
• 英文别名: 15-[1-(4,7-dihydroxynaphthalen-1-yl)-2,3,4,5,6-pentahydroxyhexan-2-yl]-30-ethyl-25-methylspiro[16,17,26,49-tetraoxa-8,29,33,44-tetrazadodecacyclo[26.20.2.129,32.131,34.138,42.01,18.02,7.04,47.06,11.020,50.022,27.042,46]tripentaconta-20,22(27),24,28(50),30,32(53),34(52)-heptaen-13-yne-9,1'-cyclopentane]-23,43-dione
• 化学式: C₆₈H₈₀N₄O₁₃
• 分子量: 1161.4
• InChiKey: ZEQPLHRFKXZANZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  85
• 可旋转键数：
  8
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  257
• 氢给体数：
  10
• 氢受体数：
  14