4,12,14,20,39-Pentahydroxy-13-[[4-hydroxy-3-(hydroxymethoxy)-5-methoxyphenyl]methyl]-10-(hydroxymethoxy)-45-methyl-2,30-dioxa-16,17-dithia-28,35,52-triazaundecacyclo[39.15.4.337,50.13,7.125,28.06,18.021,26.034,38.042,47.047,58.054,58]pentahexaconta-3,5,7(65),21,23,25(64),26-heptaen-48,62-diyn-36-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4,12,14,20,39-Pentahydroxy-13-[[4-hydroxy-3-(hydroxymethoxy)-5-methoxyphenyl]methyl]-10-(hydroxymethoxy)-45-methyl-2,30-dioxa-16,17-dithia-28,35,52-triazaundecacyclo[39.15.4.337,50.13,7.125,28.06,18.021,26.034,38.042,47.047,58.054,58]pentahexaconta-3,5,7(65),21,23,25(64),26-heptaen-48,62-diyn-36-one
• 英文别名: 4,12,14,20,39-pentahydroxy-13-[[4-hydroxy-3-(hydroxymethoxy)-5-methoxyphenyl]methyl]-10-(hydroxymethoxy)-45-methyl-2,30-dioxa-16,17-dithia-28,35,52-triazaundecacyclo[39.15.4.337,50.13,7.125,28.06,18.021,26.034,38.042,47.047,58.054,58]pentahexaconta-3,5,7(65),21,23,25(64),26-heptaen-48,62-diyn-36-one
• 化学式: C₆₉H₈₉N₃O₁₄S₂
• 分子量: 1248.6
• InChiKey: YJVQEUBGTUCNGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  88
• 可旋转键数：
  7
• 环数：
  15.0
• 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