64-[3-(4-Amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,15,25,43-tetrachloro-2,26,35,38,44,47,49,54,56,59-decahydroxy-21,22-dioxo-31-sulfooxy-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),14,16,23(61),24,26,29,31,33(60),35,38,41(57),42,44,46(51),47,49,53,55,58,62,65-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: 64-[3-(4-Amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,15,25,43-tetrachloro-2,26,35,38,44,47,49,54,56,59-decahydroxy-21,22-dioxo-31-sulfooxy-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),14,16,23(61),24,26,29,31,33(60),35,38,41(57),42,44,46(51),47,49,53,55,58,62,65-hexacosaene-52-carboxylic acid
• 英文别名: 64-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,15,25,43-tetrachloro-2,26,35,38,44,47,49,54,56,59-decahydroxy-21,22-dioxo-31-sulfooxy-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),14,16,23(61),24,26,29,31,33(60),35,38,41(57),42,44,46(51),47,49,53,55,58,62,65-hexacosaene-52-carboxylic acid
• 化学式: C₇₁H₆₃Cl₄N₇O₂₉S
• 分子量: 1652.2
• InChiKey: ARGFCVBOKNPSFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  112
• 可旋转键数：
  8
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  574
• 氢给体数：
  18
• 氢受体数：
  30