9-Hydroxy-11-(3-methoxypropyl)-3-methyl-23-[[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]-16,17-dithia-12,30-diazapentacyclo[17.6.5.01,6.010,14.020,25]triacont-26-yn-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-23-[[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]-16,17-dithia-12,30-diazapentacyclo[17.6.5.01,6.010,14.020,25]triacont-26-yn-13-one
• 英文别名: 9-hydroxy-11-(3-methoxypropyl)-3-methyl-23-[[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]-16,17-dithia-12,30-diazapentacyclo[17.6.5.01,6.010,14.020,25]triacont-26-yn-13-one
• 化学式: C₅₈H₈₆N₂O₁₃S₄
• 分子量: 1147.6
• InChiKey: CUDXSVJAOGKRIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  77
• 可旋转键数：
  14
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  330
• 氢给体数：
  9
• 氢受体数：
  18