3-[34-(Carboxymethyl)-3-[2,6-dihydroxy-3-(4-hydroxyphenyl)hexan-2-yl]-15-(3,4-dihydroxyoct-1-enyl)-16-(2,3-dihydroxypropyl)-20,27-dihydroxy-23-methyl-22,35-diazapentacyclo[27.2.2.13,17.121,26.07,12]pentatriaconta-1(31),7,9,11,15,29,32-heptaen-5-yn-30-yl]propanoic 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: 3-[34-(Carboxymethyl)-3-[2,6-dihydroxy-3-(4-hydroxyphenyl)hexan-2-yl]-15-(3,4-dihydroxyoct-1-enyl)-16-(2,3-dihydroxypropyl)-20,27-dihydroxy-23-methyl-22,35-diazapentacyclo[27.2.2.13,17.121,26.07,12]pentatriaconta-1(31),7,9,11,15,29,32-heptaen-5-yn-30-yl]propanoic acid
• 英文别名: 3-[34-(carboxymethyl)-3-[2,6-dihydroxy-3-(4-hydroxyphenyl)hexan-2-yl]-15-(3,4-dihydroxyoct-1-enyl)-16-(2,3-dihydroxypropyl)-20,27-dihydroxy-23-methyl-22,35-diazapentacyclo[27.2.2.13,17.121,26.07,12]pentatriaconta-1(31),7,9,11,15,29,32-heptaen-5-yn-30-yl]propanoic acid
• 化学式: C₆₂H₈₆N₂O₁₃
• 分子量: 1067.3
• InChiKey: FLMUCSUVMPPOFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  77
• 可旋转键数：
  20
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  281
• 氢给体数：
  13
• 氢受体数：
  15