[19,39-Diamino-9,31-dihydroxy-5,34-bis(hydroxymethyl)-13-methyl-7-oxo-4,12-dioxa-18,38-diazanonacyclo[23.9.6.210,13.02,11.03,8.014,24.016,21.028,33.035,40]dotetraconta-2(11),3(8),5,9,16,18,20,28(33),29,31,35(40),36,38-tridecaen-41-yl] 2-(ethylaminomethyl)but-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: [19,39-Diamino-9,31-dihydroxy-5,34-bis(hydroxymethyl)-13-methyl-7-oxo-4,12-dioxa-18,38-diazanonacyclo[23.9.6.210,13.02,11.03,8.014,24.016,21.028,33.035,40]dotetraconta-2(11),3(8),5,9,16,18,20,28(33),29,31,35(40),36,38-tridecaen-41-yl] 2-(ethylaminomethyl)but-2-enoate
• 英文别名: [19,39-diamino-9,31-dihydroxy-5,34-bis(hydroxymethyl)-13-methyl-7-oxo-4,12-dioxa-18,38-diazanonacyclo[23.9.6.210,13.02,11.03,8.014,24.016,21.028,33.035,40]dotetraconta-2(11),3(8),5,9,16,18,20,28(33),29,31,35(40),36,38-tridecaen-41-yl] 2-(ethylaminomethyl)but-2-enoate
• 化学式: C₄₈H₅₃N₅O₉
• 分子量: 844.0
• InChiKey: XFQDJOIBRYBSOP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  62
• 可旋转键数：
  8
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  233
• 氢给体数：
  7
• 氢受体数：
  14