3-[18-Amino-6-[2-(3,4-dimethylphenyl)-1,2-dihydroxyethyl]-11,20,21,25-tetrahydroxy-15-(1-hydroxyethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-3-yl]-3-hydroxypropanamide;3-[18-amino-6-[2-(3,4-dimethylphenyl)-1-hydroxypropyl]-11,20,25-trihydroxy-15-(1-hydroxyethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-3-yl]-3-hydroxypropanamide

• 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: 3-[18-Amino-6-[2-(3,4-dimethylphenyl)-1,2-dihydroxyethyl]-11,20,21,25-tetrahydroxy-15-(1-hydroxyethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-3-yl]-3-hydroxypropanamide;3-[18-amino-6-[2-(3,4-dimethylphenyl)-1-hydroxypropyl]-11,20,25-trihydroxy-15-(1-hydroxyethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-3-yl]-3-hydroxypropanamide
• 英文别名: 3-[18-amino-6-[2-(3,4-dimethylphenyl)-1,2-dihydroxyethyl]-11,20,21,25-tetrahydroxy-15-(1-hydroxyethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-3-yl]-3-hydroxypropanamide;3-[18-amino-6-[2-(3,4-dimethylphenyl)-1-hydroxypropyl]-11,20,25-trihydroxy-15-(1-hydroxyethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-3-yl]-3-hydroxypropanamide
• 化学式: C75H114N16O28
• 分子量: 1687.8
• InChiKey: CGAHNJPVOIZYTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -13.32
• 重原子数：
  119
• 可旋转键数：
  14
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  736
• 氢给体数：
  26
• 氢受体数：
  30