(2,5-Dihydroxypyrrol-1-yl) 5-oxo-5-[4-(48,49,63,64-tetrahydroxy-8,14,25,31,38,44,53,59-octaoxo-1,4,7,15,18,21,24,32,37,45,52,60-dodecazaheptacyclo[19.13.13.134,18.19,13.126,30.139,43.154,58]tetrahexaconta-9,11,13(63),26(49),27,29,39,41,43(48),54(64),55,57-dodecaen-6-yl)butylamino]pentanoate

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: (2,5-Dihydroxypyrrol-1-yl) 5-oxo-5-[4-(48,49,63,64-tetrahydroxy-8,14,25,31,38,44,53,59-octaoxo-1,4,7,15,18,21,24,32,37,45,52,60-dodecazaheptacyclo[19.13.13.134,18.19,13.126,30.139,43.154,58]tetrahexaconta-9,11,13(63),26(49),27,29,39,41,43(48),54(64),55,57-dodecaen-6-yl)butylamino]pentanoate
• 英文别名: (2,5-dihydroxypyrrol-1-yl) 5-oxo-5-[4-(48,49,63,64-tetrahydroxy-8,14,25,31,38,44,53,59-octaoxo-1,4,7,15,18,21,24,32,37,45,52,60-dodecazaheptacyclo[19.13.13.134,18.19,13.126,30.139,43.154,58]tetrahexaconta-9,11,13(63),26(49),27,29,39,41,43(48),54(64),55,57-dodecaen-6-yl)butylamino]pentanoate
• 化学式: C₆₅H₈₂N₁₄O₁₇
• 分子量: 1331.4
• InChiKey: ACHCEVDMMCBSNJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  96
• 可旋转键数：
  11
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  428
• 氢给体数：
  15
• 氢受体数：
  21