17-(2-Amino-1-hydroxy-2-oxoethyl)-20-(2-amino-2-oxoethyl)-33-benzyl-30-[5-(4-bromophenyl)-1-hydroxy-3-methylpenta-2,4-dienyl]-14-[(4-bromophenyl)methyl]-5-hydroxy-39-(1-hydroxyethyl)-26,36-bis(hydroxymethyl)-3,9,13,16,19,22,25,28,32,35,38,41-dodecaoxo-44-(4,5,6-trihydroxyoxan-3-yl)oxy-2,8,12,15,18,21,24,27,31,34,37,40,46-tridecaza-44-azoniatricyclo[21.18.6.143,46]octatetracont-43(48)-ene-7-carboxylate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: 17-(2-Amino-1-hydroxy-2-oxoethyl)-20-(2-amino-2-oxoethyl)-33-benzyl-30-[5-(4-bromophenyl)-1-hydroxy-3-methylpenta-2,4-dienyl]-14-[(4-bromophenyl)methyl]-5-hydroxy-39-(1-hydroxyethyl)-26,36-bis(hydroxymethyl)-3,9,13,16,19,22,25,28,32,35,38,41-dodecaoxo-44-(4,5,6-trihydroxyoxan-3-yl)oxy-2,8,12,15,18,21,24,27,31,34,37,40,46-tridecaza-44-azoniatricyclo[21.18.6.143,46]octatetracont-43(48)-ene-7-carboxylate
• 英文别名: 17-(2-amino-1-hydroxy-2-oxoethyl)-20-(2-amino-2-oxoethyl)-33-benzyl-30-[5-(4-bromophenyl)-1-hydroxy-3-methylpenta-2,4-dienyl]-14-[(4-bromophenyl)methyl]-5-hydroxy-39-(1-hydroxyethyl)-26,36-bis(hydroxymethyl)-3,9,13,16,19,22,25,28,32,35,38,41-dodecaoxo-44-(4,5,6-trihydroxyoxan-3-yl)oxy-2,8,12,15,18,21,24,27,31,34,37,40,46-tridecaza-44-azoniatricyclo[21.18.6.143,46]octatetracont-43(48)-ene-7-carboxylate
• 化学式: C74H96Br2N16O27
• 分子量: 1801.5
• InChiKey: OLMGSCURRKFCMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.8
• 重原子数：
  119
• 可旋转键数：
  17
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  684
• 氢给体数：
  24
• 氢受体数：
  28