14-Amino-5,49,57-trihydroxy-48-(hydroxymethoxy)-22-(2-hydroxy-1-methoxyethyl)-12-propan-2-yl-4,41-dioxa-9,10-dithia-13,15,39-triazaundecacyclo[41.16.1.12,6.125,36.03,42.07,16.019,38.024,38.026,31.032,36.047,52]dohexaconta-1(60),2,13,26,28,30,42,47(52),48,50-decaen-17,45-diyn-55-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 14-Amino-5,49,57-trihydroxy-48-(hydroxymethoxy)-22-(2-hydroxy-1-methoxyethyl)-12-propan-2-yl-4,41-dioxa-9,10-dithia-13,15,39-triazaundecacyclo[41.16.1.12,6.125,36.03,42.07,16.019,38.024,38.026,31.032,36.047,52]dohexaconta-1(60),2,13,26,28,30,42,47(52),48,50-decaen-17,45-diyn-55-one
• 英文别名: 14-amino-5,49,57-trihydroxy-48-(hydroxymethoxy)-22-(2-hydroxy-1-methoxyethyl)-12-propan-2-yl-4,41-dioxa-9,10-dithia-13,15,39-triazaundecacyclo[41.16.1.12,6.125,36.03,42.07,16.019,38.024,38.026,31.032,36.047,52]dohexaconta-1(60),2,13,26,28,30,42,47(52),48,50-decaen-17,45-diyn-55-one
• 化学式: C₆₂H₇₈N₄O₁₀S₂
• 分子量: 1103.4
• InChiKey: HXEJFRNMMZSKAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  78
• 可旋转键数：
  6
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  268
• 氢给体数：
  8
• 氢受体数：
  14