47-[6-(Acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-64-[6-carboxy-4,5-dihydroxy-3-(1-hydroxydodecylideneamino)oxan-2-yl]oxy-5,32-dichloro-2,21,26,31,35,38,44,49,54,56,59-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(60),30,32,35,38,41(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: 47-[6-(Acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-64-[6-carboxy-4,5-dihydroxy-3-(1-hydroxydodecylideneamino)oxan-2-yl]oxy-5,32-dichloro-2,21,26,31,35,38,44,49,54,56,59-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(60),30,32,35,38,41(57),42,44,46(51),47,49,53,55,58,65-heptacosaene-52-carboxylic acid
• 英文别名: 47-[6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-64-[6-carboxy-4,5-dihydroxy-3-(1-hydroxydodecylideneamino)oxan-2-yl]oxy-5,32-dichloro-2,21,26,31,35,38,44,49,54,56,59-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(60),30,32,35,38,41(57),42,44,46(51),47,49,53,55,58,65-heptacosaene-52-carboxylic acid
• 化学式: C₈₅H₉₀Cl₂N₈O₃₀
• 分子量: 1774.6
• InChiKey: ALBLRNZHVWNIHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  125
• 可旋转键数：
  21
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  608
• 氢给体数：
  20
• 氢受体数：
  38