19-[[2-Amino-2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-48-[3-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(4-amino-5-methoxy-6-methyloxan-2-yl)oxy-22-benzyl-5-chloro-18,32,37-trihydroxy-20,23,26,42,44-pentaoxo-35-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14(47),15,17(46),29(45),30,32,34(39),35,37,49-pentadecaene-40-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: 19-[[2-Amino-2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-48-[3-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(4-amino-5-methoxy-6-methyloxan-2-yl)oxy-22-benzyl-5-chloro-18,32,37-trihydroxy-20,23,26,42,44-pentaoxo-35-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14(47),15,17(46),29(45),30,32,34(39),35,37,49-pentadecaene-40-carboxylic acid
• 英文别名: 19-[[2-amino-2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-48-[3-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(4-amino-5-methoxy-6-methyloxan-2-yl)oxy-22-benzyl-5-chloro-18,32,37-trihydroxy-20,23,26,42,44-pentaoxo-35-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14(47),15,17(46),29(45),30,32,34(39),35,37,49-pentadecaene-40-carboxylic acid
• 化学式: C₈₄H₉₃Cl₂N₉O₃₁
• 分子量: 1795.6
• InChiKey: VLQQRKXPWDSMMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.2
• 重原子数：
  126
• 可旋转键数：
  17
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  634
• 氢给体数：
  22
• 氢受体数：
  34