2-[14-(Hydroxymethyl)-5-(4-hydroxyphenyl)-9-(3-hydroxy-5-phenylpent-4-enoxy)-10-methoxy-42-methyl-7-oxo-4,12-dioxa-47,50,62-triazatetradecacyclo[43.8.6.216,19.120,47.143,46.155,59.02,11.03,8.020,32.022,31.023,28.035,41.038,42.051,61]tetrahexaconta-2(11),3(8),5,9,16,18,23,25,27,29,43,45,55(60),56,58,63-hexadecaen-33,52-diyn-17-yl]guanidine

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 2-[14-(Hydroxymethyl)-5-(4-hydroxyphenyl)-9-(3-hydroxy-5-phenylpent-4-enoxy)-10-methoxy-42-methyl-7-oxo-4,12-dioxa-47,50,62-triazatetradecacyclo[43.8.6.216,19.120,47.143,46.155,59.02,11.03,8.020,32.022,31.023,28.035,41.038,42.051,61]tetrahexaconta-2(11),3(8),5,9,16,18,23,25,27,29,43,45,55(60),56,58,63-hexadecaen-33,52-diyn-17-yl]guanidine
• 英文别名: 2-[14-(hydroxymethyl)-5-(4-hydroxyphenyl)-9-(3-hydroxy-5-phenylpent-4-enoxy)-10-methoxy-42-methyl-7-oxo-4,12-dioxa-47,50,62-triazatetradecacyclo[43.8.6.216,19.120,47.143,46.155,59.02,11.03,8.020,32.022,31.023,28.035,41.038,42.051,61]tetrahexaconta-2(11),3(8),5,9,16,18,23,25,27,29,43,45,55(60),56,58,63-hexadecaen-33,52-diyn-17-yl]guanidine
• 化学式: C₈₀H₇₈N₆O₈
• 分子量: 1251.5
• InChiKey: JEXFRGYIYQLEKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.5
• 重原子数：
  94
• 可旋转键数：
  10
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  210
• 氢给体数：
  7
• 氢受体数：
  11