18-[[[Amino-(4-hydroxybutylamino)methylidene]amino]methoxy]-3'-[2-(3-ethylphenyl)ethoxy]-2',4',6,7,9',13',21-heptahydroxy-13-methyl-12-(2-methylpropyl)-15'-oxospiro[2,4-dioxa-14-azatetracyclo[9.7.2.13,7.015,19]henicosa-1(18),15(19),16-trien-9-yne-5,12'-6,14-dioxatricyclo[8.5.1.05,16]hexadeca-1(16),2,4-triene]-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]-3'-[2-(3-ethylphenyl)ethoxy]-2',4',6,7,9',13',21-heptahydroxy-13-methyl-12-(2-methylpropyl)-15'-oxospiro[2,4-dioxa-14-azatetracyclo[9.7.2.13,7.015,19]henicosa-1(18),15(19),16-trien-9-yne-5,12'-6,14-dioxatricyclo[8.5.1.05,16]hexadeca-1(16),2,4-triene]-16-carboxylic acid
• 英文别名: 18-[[[amino-(4-hydroxybutylamino)methylidene]amino]methoxy]-3'-[2-(3-ethylphenyl)ethoxy]-2',4',6,7,9',13',21-heptahydroxy-13-methyl-12-(2-methylpropyl)-15'-oxospiro[2,4-dioxa-14-azatetracyclo[9.7.2.13,7.015,19]henicosa-1(18),15(19),16-trien-9-yne-5,12'-6,14-dioxatricyclo[8.5.1.05,16]hexadeca-1(16),2,4-triene]-16-carboxylic acid
• 化学式: C₅₃H₆₈N₄O₁₇
• 分子量: 1033.1
• InChiKey: IYIIIHVMRIPYRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  74
• 可旋转键数：
  16
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  334
• 氢给体数：
  12
• 氢受体数：
  19