18-[[[Amino-(4-hydroxybutylamino)methylidene]amino]methoxy]-5-[[2,4-dihydroxy-5-methoxy-3-(2-phenylethoxy)benzoyl]oxy-hydroxymethyl]-6,7,21-trihydroxy-12-(1-hydroxy-2-methylpropyl)-13-methyl-2,4-dioxa-14-azatetracyclo[9.7.2.13,7.015,19]henicosa-1(18),15(19),16-trien-9-yne-16-carboxylic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: 18-[[[Amino-(4-hydroxybutylamino)methylidene]amino]methoxy]-5-[[2,4-dihydroxy-5-methoxy-3-(2-phenylethoxy)benzoyl]oxy-hydroxymethyl]-6,7,21-trihydroxy-12-(1-hydroxy-2-methylpropyl)-13-methyl-2,4-dioxa-14-azatetracyclo[9.7.2.13,7.015,19]henicosa-1(18),15(19),16-trien-9-yne-16-carboxylic acid
• 英文别名: 18-[[[amino-(4-hydroxybutylamino)methylidene]amino]methoxy]-5-[[2,4-dihydroxy-5-methoxy-3-(2-phenylethoxy)benzoyl]oxy-hydroxymethyl]-6,7,21-trihydroxy-12-(1-hydroxy-2-methylpropyl)-13-methyl-2,4-dioxa-14-azatetracyclo[9.7.2.13,7.015,19]henicosa-1(18),15(19),16-trien-9-yne-16-carboxylic acid
• 化学式: C₄₇H₆₀N₄O₁₇
• 分子量: 953.0
• InChiKey: HGLYJNQZCPPBIN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  68
• 可旋转键数：
  20
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  334
• 氢给体数：
  12
• 氢受体数：
  19