2-(4-Amino-5-methoxy-6-methyloxan-2-yl)oxy-25-benzyl-5-chloro-51-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5,6-tetrahydroxyoxan-2-yl)oxyoxan-2-yl]oxy-35,40-dihydroxy-20,23,26,29,45,47-hexaoxo-38-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13,19-trioxa-21,24,27,30,44,46-hexazanonacyclo[29.14.2.23,6.214,17.18,12.132,36.010,28.018,22.037,42]tripentaconta-3,5,8,10,12(51),14(50),15,17(49),32(48),33,35,37(42),38,40,52-pentadecaene-43-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: 2-(4-Amino-5-methoxy-6-methyloxan-2-yl)oxy-25-benzyl-5-chloro-51-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5,6-tetrahydroxyoxan-2-yl)oxyoxan-2-yl]oxy-35,40-dihydroxy-20,23,26,29,45,47-hexaoxo-38-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13,19-trioxa-21,24,27,30,44,46-hexazanonacyclo[29.14.2.23,6.214,17.18,12.132,36.010,28.018,22.037,42]tripentaconta-3,5,8,10,12(51),14(50),15,17(49),32(48),33,35,37(42),38,40,52-pentadecaene-43-carboxylic acid
• 英文别名: 2-(4-amino-5-methoxy-6-methyloxan-2-yl)oxy-25-benzyl-5-chloro-51-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5,6-tetrahydroxyoxan-2-yl)oxyoxan-2-yl]oxy-35,40-dihydroxy-20,23,26,29,45,47-hexaoxo-38-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13,19-trioxa-21,24,27,30,44,46-hexazanonacyclo[29.14.2.23,6.214,17.18,12.132,36.010,28.018,22.037,42]tripentaconta-3,5,8,10,12(51),14(50),15,17(49),32(48),33,35,37(42),38,40,52-pentadecaene-43-carboxylic acid
• 化学式: C₇₆H₈₂ClN₇O₃₃
• 分子量: 1656.9
• InChiKey: PQAHJVSDLKKUPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.1
• 重原子数：
  117
• 可旋转键数：
  14
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  612
• 氢给体数：
  21
• 氢受体数：
  34