1-[[34-(Carboxymethyl)-15-(3,4-dihydroxyoct-1-enyl)-16-(2,3-dihydroxypropyl)-20,27-dihydroxy-8-(4-hydroxybutyl)-3-[2-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-23-methyl-22,35-diazapentacyclo[27.2.2.13,17.121,26.07,12]pentatriaconta-1(31),7(12),8,10,15,29,32-heptaen-5-yn-30-yl]methyl]cyclohexane-1-carboxylic 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: 1-[[34-(Carboxymethyl)-15-(3,4-dihydroxyoct-1-enyl)-16-(2,3-dihydroxypropyl)-20,27-dihydroxy-8-(4-hydroxybutyl)-3-[2-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-23-methyl-22,35-diazapentacyclo[27.2.2.13,17.121,26.07,12]pentatriaconta-1(31),7(12),8,10,15,29,32-heptaen-5-yn-30-yl]methyl]cyclohexane-1-carboxylic acid
• 英文别名: 1-[[34-(carboxymethyl)-15-(3,4-dihydroxyoct-1-enyl)-16-(2,3-dihydroxypropyl)-20,27-dihydroxy-8-(4-hydroxybutyl)-3-[2-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-23-methyl-22,35-diazapentacyclo[27.2.2.13,17.121,26.07,12]pentatriaconta-1(31),7(12),8,10,15,29,32-heptaen-5-yn-30-yl]methyl]cyclohexane-1-carboxylic acid
• 化学式: C₆₈H₉₆N₂O₁₃
• 分子量: 1149.5
• InChiKey: BRISGPGDHAZRMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  83
• 可旋转键数：
  21
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  281
• 氢给体数：
  13
• 氢受体数：
  15