9-Hydroxy-11-(3-methoxypropyl)-3-methyl-25-[[6,8,16-trihydroxy-2-(2-hydroxyethyl)-7-[[4-hydroxy-3-(hydroxymethoxy)-5-methoxyphenyl]methyl]-10-(hydroxymethoxy)-3,4-dithiabicyclo[11.4.0]heptadeca-1(17),13,15-trien-15-yl]oxy]-12,20-diazapentacyclo[16.9.2.01,6.010,14.022,27]nonacosa-15,28-diyn-13-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: 9-Hydroxy-11-(3-methoxypropyl)-3-methyl-25-[[6,8,16-trihydroxy-2-(2-hydroxyethyl)-7-[[4-hydroxy-3-(hydroxymethoxy)-5-methoxyphenyl]methyl]-10-(hydroxymethoxy)-3,4-dithiabicyclo[11.4.0]heptadeca-1(17),13,15-trien-15-yl]oxy]-12,20-diazapentacyclo[16.9.2.01,6.010,14.022,27]nonacosa-15,28-diyn-13-one
• 英文别名: 9-hydroxy-11-(3-methoxypropyl)-3-methyl-25-[[6,8,16-trihydroxy-2-(2-hydroxyethyl)-7-[[4-hydroxy-3-(hydroxymethoxy)-5-methoxyphenyl]methyl]-10-(hydroxymethoxy)-3,4-dithiabicyclo[11.4.0]heptadeca-1(17),13,15-trien-15-yl]oxy]-12,20-diazapentacyclo[16.9.2.01,6.010,14.022,27]nonacosa-15,28-diyn-13-one
• 化学式: C₅₉H₈₄N₂O₁₄S₂
• 分子量: 1109.4
• InChiKey: WEZGRCKMZKHPPI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  77
• 可旋转键数：
  15
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  300
• 氢给体数：
  10
• 氢受体数：
  17