4-[1-Hydroxy-3-[4'-methyl-11-[[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]spiro[3-azabicyclo[7.4.0]tridec-6-yne-8,2'-cyclohexane]-1'-yl]propyl]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-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]spiro[3-azabicyclo[7.4.0]tridec-6-yne-8,2'-cyclohexane]-1'-yl]propyl]pyrrolidin-2-one
• 英文别名: 4-[1-hydroxy-3-[4'-methyl-11-[[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]spiro[3-azabicyclo[7.4.0]tridec-6-yne-8,2'-cyclohexane]-1'-yl]propyl]pyrrolidin-2-one
• 化学式: C₅₂H₇₆N₂O₁₂S₂
• 分子量: 985.3
• InChiKey: ZZMPKZQKNVUEEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  68
• 可旋转键数：
  14
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  270
• 氢给体数：
  9
• 氢受体数：
  15