26,31-Dibutoxy-5,43-dichloro-2,21,35,38,44,47,49,54,56,59,64-undecahydroxy-22-(methylamino)-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(63),15,17(62),20,23(61),24,26,29,31,33(60),35,38,41(57),42,44,46(51),47,49,53,55,58,65-heptacosaene-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: 26,31-Dibutoxy-5,43-dichloro-2,21,35,38,44,47,49,54,56,59,64-undecahydroxy-22-(methylamino)-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(63),15,17(62),20,23(61),24,26,29,31,33(60),35,38,41(57),42,44,46(51),47,49,53,55,58,65-heptacosaene-52-carboxylic acid
• 英文别名: 26,31-dibutoxy-5,43-dichloro-2,21,35,38,44,47,49,54,56,59,64-undecahydroxy-22-(methylamino)-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(63),15,17(62),20,23(61),24,26,29,31,33(60),35,38,41(57),42,44,46(51),47,49,53,55,58,65-heptacosaene-52-carboxylic acid
• 化学式: C₆₇H₆₃Cl₂N₇O₁₈
• 分子量: 1325.2
• InChiKey: BOIRHVFHQUYNBK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  94
• 可旋转键数：
  10
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  392
• 氢给体数：
  13
• 氢受体数：
  25