9-Hydroxy-11-(3-methoxypropyl)-3-methyl-25-[[6,8,16-trihydroxy-7-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-2-(2-hydroxyethyl)-10-(hydroxymethoxy)-3,4-dithiabicyclo[11.4.0]heptadeca-1(17),13,15-trien-15-yl]oxy]-12,20-diazahexacyclo[16.9.2.27,27.01,6.010,14.022,27]hentriaconta-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-7-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-2-(2-hydroxyethyl)-10-(hydroxymethoxy)-3,4-dithiabicyclo[11.4.0]heptadeca-1(17),13,15-trien-15-yl]oxy]-12,20-diazahexacyclo[16.9.2.27,27.01,6.010,14.022,27]hentriaconta-15,28-diyn-13-one
• 英文别名: 9-hydroxy-11-(3-methoxypropyl)-3-methyl-25-[[6,8,16-trihydroxy-7-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-2-(2-hydroxyethyl)-10-(hydroxymethoxy)-3,4-dithiabicyclo[11.4.0]heptadeca-1(17),13,15-trien-15-yl]oxy]-12,20-diazahexacyclo[16.9.2.27,27.01,6.010,14.022,27]hentriaconta-15,28-diyn-13-one
• 化学式: C₆₁H₈₆N₂O₁₃S₂
• 分子量: 1119.5
• InChiKey: XDLDZVGYXBIJNZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  78
• 可旋转键数：
  14
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  280
• 氢给体数：
  9
• 氢受体数：
  16