3-[38-(Carboxymethyl)-19-(3,4-dihydroxyoct-1-enyl)-20-(2,3-dihydroxypropyl)-4,24,31-trihydroxy-4-[6-hydroxy-2-(2-hydroxyethyl)-1,2-dihydronaphthalen-1-yl]-27-methyl-26,39-diazahexacyclo[31.2.2.13,21.125,30.03,8.011,16]nonatriaconta-1(35),6,11,13,15,19,33,36-octaen-9-yn-34-yl]propanoic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-[38-(Carboxymethyl)-19-(3,4-dihydroxyoct-1-enyl)-20-(2,3-dihydroxypropyl)-4,24,31-trihydroxy-4-[6-hydroxy-2-(2-hydroxyethyl)-1,2-dihydronaphthalen-1-yl]-27-methyl-26,39-diazahexacyclo[31.2.2.13,21.125,30.03,8.011,16]nonatriaconta-1(35),6,11,13,15,19,33,36-octaen-9-yn-34-yl]propanoic acid
• 英文别名: 3-[38-(carboxymethyl)-19-(3,4-dihydroxyoct-1-enyl)-20-(2,3-dihydroxypropyl)-4,24,31-trihydroxy-4-[6-hydroxy-2-(2-hydroxyethyl)-1,2-dihydronaphthalen-1-yl]-27-methyl-26,39-diazahexacyclo[31.2.2.13,21.125,30.03,8.011,16]nonatriaconta-1(35),6,11,13,15,19,33,36-octaen-9-yn-34-yl]propanoic acid
• 化学式: C₆₆H₈₆N₂O₁₃
• 分子量: 1115.4
• InChiKey: BEENYGDNUBPDHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  81
• 可旋转键数：
  17
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  281
• 氢给体数：
  13
• 氢受体数：
  15