22-Amino-47,49-dibutoxy-5,15,43-trichloro-26-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,21,31,35,38,44,56,59,64-nonahydroxy-53-methyl-54-oxo-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,20,23(61),24,26,29(60),30,32,35,38,41(57),42,44,46(51),47,49,55,58,62,65-hexacosaene-52-carboxylic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 22-Amino-47,49-dibutoxy-5,15,43-trichloro-26-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,21,31,35,38,44,56,59,64-nonahydroxy-53-methyl-54-oxo-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,20,23(61),24,26,29(60),30,32,35,38,41(57),42,44,46(51),47,49,55,58,62,65-hexacosaene-52-carboxylic acid
• 英文别名: 22-amino-47,49-dibutoxy-5,15,43-trichloro-26-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,21,31,35,38,44,56,59,64-nonahydroxy-53-methyl-54-oxo-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,20,23(61),24,26,29(60),30,32,35,38,41(57),42,44,46(51),47,49,55,58,62,65-hexacosaene-52-carboxylic acid
• 化学式: C₇₉H₈₂Cl₃N₇O₂₈
• 分子量: 1683.9
• InChiKey: BZPYQDXFAFLNPO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  117
• 可旋转键数：
  15
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  552
• 氢给体数：
  18
• 氢受体数：
  34