2-[2-[3-[9-(3,4-Dihydroxyoct-1-enyl)-8-(2,3-dihydroxypropyl)-16-ethyl-5-[1-hydroxy-1-[1-(4-hydroxyphenyl)cyclohexyl]ethyl]-6-azabicyclo[10.4.0]hexadeca-1(12),8,13,15-tetraen-2-yn-7-yl]-1-hydroxypropyl]-4-(hydroxymethyl)-7-methylazepan-3-yl]acetic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[2-[3-[9-(3,4-Dihydroxyoct-1-enyl)-8-(2,3-dihydroxypropyl)-16-ethyl-5-[1-hydroxy-1-[1-(4-hydroxyphenyl)cyclohexyl]ethyl]-6-azabicyclo[10.4.0]hexadeca-1(12),8,13,15-tetraen-2-yn-7-yl]-1-hydroxypropyl]-4-(hydroxymethyl)-7-methylazepan-3-yl]acetic acid
• 英文别名: 2-[2-[3-[9-(3,4-dihydroxyoct-1-enyl)-8-(2,3-dihydroxypropyl)-16-ethyl-5-[1-hydroxy-1-[1-(4-hydroxyphenyl)cyclohexyl]ethyl]-6-azabicyclo[10.4.0]hexadeca-1(12),8,13,15-tetraen-2-yn-7-yl]-1-hydroxypropyl]-4-(hydroxymethyl)-7-methylazepan-3-yl]acetic acid
• 化学式: C₅₅H₈₂N₂O₁₀
• 分子量: 931.2
• InChiKey: BKGYGVQCTJVIRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  67
• 可旋转键数：
  20
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  223
• 氢给体数：
  11
• 氢受体数：
  12