4-[1-Hydroxy-3-[4'-methyl-11-[[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]spiro[3-azabicyclo[7.4.0]tridec-6-yne-8,2'-cyclohexane]-1'-yl]propyl]-5-(3-methoxypropyl)pyrrolidin-2-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-[1-Hydroxy-3-[4'-methyl-11-[[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]spiro[3-azabicyclo[7.4.0]tridec-6-yne-8,2'-cyclohexane]-1'-yl]propyl]-5-(3-methoxypropyl)pyrrolidin-2-one
• 英文别名: 4-[1-hydroxy-3-[4'-methyl-11-[[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]spiro[3-azabicyclo[7.4.0]tridec-6-yne-8,2'-cyclohexane]-1'-yl]propyl]-5-(3-methoxypropyl)pyrrolidin-2-one
• 化学式: C₅₆H₈₄N₂O₁₄S₂
• 分子量: 1073.4
• InChiKey: IXELLQWQEHCSBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  74
• 可旋转键数：
  19
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  300
• 氢给体数：
  10
• 氢受体数：
  17