11,19,21,27,64-Pentahydroxy-20-[[4-hydroxy-3-(hydroxymethoxy)-5-methoxyphenyl]methyl]-17-(hydroxymethoxy)-59-methyl-9,37-dioxa-23,24,46,47,54,55-hexathia-35,42,50-triazadodecacyclo[39.21.3.252,61.14,8.110,14.132,35.04,61.05,49.013,25.028,33.044,65.057,62]heptaconta-10,12,14(69),28,30,32(68),33-heptaen-66-yn-43-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 11,19,21,27,64-Pentahydroxy-20-[[4-hydroxy-3-(hydroxymethoxy)-5-methoxyphenyl]methyl]-17-(hydroxymethoxy)-59-methyl-9,37-dioxa-23,24,46,47,54,55-hexathia-35,42,50-triazadodecacyclo[39.21.3.252,61.14,8.110,14.132,35.04,61.05,49.013,25.028,33.044,65.057,62]heptaconta-10,12,14(69),28,30,32(68),33-heptaen-66-yn-43-one
• 英文别名: 11,19,21,27,64-pentahydroxy-20-[[4-hydroxy-3-(hydroxymethoxy)-5-methoxyphenyl]methyl]-17-(hydroxymethoxy)-59-methyl-9,37-dioxa-23,24,46,47,54,55-hexathia-35,42,50-triazadodecacyclo[39.21.3.252,61.14,8.110,14.132,35.04,61.05,49.013,25.028,33.044,65.057,62]heptaconta-10,12,14(69),28,30,32(68),33-heptaen-66-yn-43-one
• 化学式: C₇₀H₉₃N₃O₁₄S₆
• 分子量: 1392.9
• InChiKey: UCALRUMLMOFWDC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  93
• 可旋转键数：
  7
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  406
• 氢给体数：
  10
• 氢受体数：
  21