9,17,19,25,62-Pentahydroxy-18-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-15-(hydroxymethoxy)-57-methyl-7,35-dioxa-21,22,44,45,52,53-hexathia-33,40,48-triazaundecacyclo[37.19.5.21,50.12,6.18,12.130,33.03,47.011,23.026,31.042,63.055,59]octahexaconta-8,10,12(67),26,28,30(66),31-heptaen-64-yn-41-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 9,17,19,25,62-Pentahydroxy-18-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-15-(hydroxymethoxy)-57-methyl-7,35-dioxa-21,22,44,45,52,53-hexathia-33,40,48-triazaundecacyclo[37.19.5.21,50.12,6.18,12.130,33.03,47.011,23.026,31.042,63.055,59]octahexaconta-8,10,12(67),26,28,30(66),31-heptaen-64-yn-41-one
• 英文别名: 9,17,19,25,62-pentahydroxy-18-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-15-(hydroxymethoxy)-57-methyl-7,35-dioxa-21,22,44,45,52,53-hexathia-33,40,48-triazaundecacyclo[37.19.5.21,50.12,6.18,12.130,33.03,47.011,23.026,31.042,63.055,59]octahexaconta-8,10,12(67),26,28,30(66),31-heptaen-64-yn-41-one
• 化学式: C₆₈H₉₁N₃O₁₃S₆
• 分子量: 1350.9
• InChiKey: KSVRMXWJQQLCBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  90
• 可旋转键数：
  6
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  386
• 氢给体数：
  9
• 氢受体数：
  20