[17-Amino-13-[[6-(ethylamino)pyridin-3-yl]methyl]-8-hydroxy-4-(hydroxymethyl)-22-[(3-hydroxyphenyl)methyl]-12-methyl-6-oxo-3,24-dioxa-18-azapentacyclo[10.10.2.02,7.09,23.016,21]tetracosa-1(23),2(7),4,8,16(21),17,19-heptaen-11-yl] 2-methylbut-2-enoate

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: [17-Amino-13-[[6-(ethylamino)pyridin-3-yl]methyl]-8-hydroxy-4-(hydroxymethyl)-22-[(3-hydroxyphenyl)methyl]-12-methyl-6-oxo-3,24-dioxa-18-azapentacyclo[10.10.2.02,7.09,23.016,21]tetracosa-1(23),2(7),4,8,16(21),17,19-heptaen-11-yl] 2-methylbut-2-enoate
• 英文别名: [17-amino-13-[[6-(ethylamino)pyridin-3-yl]methyl]-8-hydroxy-4-(hydroxymethyl)-22-[(3-hydroxyphenyl)methyl]-12-methyl-6-oxo-3,24-dioxa-18-azapentacyclo[10.10.2.02,7.09,23.016,21]tetracosa-1(23),2(7),4,8,16(21),17,19-heptaen-11-yl] 2-methylbut-2-enoate
• 化学式: C₄₃H₄₆N₄O₈
• 分子量: 746.8
• InChiKey: QVSQNEZHKGLEQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  55
• 可旋转键数：
  10
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  186
• 氢给体数：
  5
• 氢受体数：
  12