9,28,34,36,44-Pentahydroxy-35-[[4-hydroxy-3-(hydroxymethoxy)-5-methoxyphenyl]methyl]-38-(hydroxymethoxy)-3-methyl-18,46-dioxa-31,32-dithia-13,20,52-triazanonacyclo[45.9.2.120,23.141,45.01,6.010,14.022,27.030,42.050,57]hexaconta-21,23(60),24,26,41(59),42,44-heptaen-55-yn-12-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 9,28,34,36,44-Pentahydroxy-35-[[4-hydroxy-3-(hydroxymethoxy)-5-methoxyphenyl]methyl]-38-(hydroxymethoxy)-3-methyl-18,46-dioxa-31,32-dithia-13,20,52-triazanonacyclo[45.9.2.120,23.141,45.01,6.010,14.022,27.030,42.050,57]hexaconta-21,23(60),24,26,41(59),42,44-heptaen-55-yn-12-one
• 英文别名: 9,28,34,36,44-pentahydroxy-35-[[4-hydroxy-3-(hydroxymethoxy)-5-methoxyphenyl]methyl]-38-(hydroxymethoxy)-3-methyl-18,46-dioxa-31,32-dithia-13,20,52-triazanonacyclo[45.9.2.120,23.141,45.01,6.010,14.022,27.030,42.050,57]hexaconta-21,23(60),24,26,41(59),42,44-heptaen-55-yn-12-one
• 化学式: C₆₄H₈₇N₃O₁₄S₂
• 分子量: 1186.5
• InChiKey: ILJTWQREVPCMNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  83
• 可旋转键数：
  7
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  305
• 氢给体数：
  10
• 氢受体数：
  17