18,24,26,34,55-Pentahydroxy-25-[[4-hydroxy-3-(hydroxymethoxy)-5-methoxyphenyl]methyl]-28-(hydroxymethoxy)-49-methyl-8,36-dioxa-21,22-dithia-3,10,42-triazadecacyclo[42.12.3.237,40.110,13.131,35.04,56.012,17.020,32.039,47.047,52]trihexaconta-11,13(63),14,16,31(62),32,34-heptaen-45,57-diyn-2-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 18,24,26,34,55-Pentahydroxy-25-[[4-hydroxy-3-(hydroxymethoxy)-5-methoxyphenyl]methyl]-28-(hydroxymethoxy)-49-methyl-8,36-dioxa-21,22-dithia-3,10,42-triazadecacyclo[42.12.3.237,40.110,13.131,35.04,56.012,17.020,32.039,47.047,52]trihexaconta-11,13(63),14,16,31(62),32,34-heptaen-45,57-diyn-2-one
• 英文别名: 18,24,26,34,55-pentahydroxy-25-[[4-hydroxy-3-(hydroxymethoxy)-5-methoxyphenyl]methyl]-28-(hydroxymethoxy)-49-methyl-8,36-dioxa-21,22-dithia-3,10,42-triazadecacyclo[42.12.3.237,40.110,13.131,35.04,56.012,17.020,32.039,47.047,52]trihexaconta-11,13(63),14,16,31(62),32,34-heptaen-45,57-diyn-2-one
• 化学式: C₆₇H₈₇N₃O₁₄S₂
• 分子量: 1222.6
• InChiKey: DFELNMOKHUFTGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  86
• 可旋转键数：
  7
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  305
• 氢给体数：
  10
• 氢受体数：
  17