2-[14-(Hydroxymethyl)-5-(4-hydroxyphenyl)-9-(3-hydroxy-5-phenylpent-4-enoxy)-10-methoxy-50-methyl-7-oxospiro[4,12-dioxa-55,58,70-triazaheptadecacyclo[51.8.6.216,19.222,25.120,55.151,54.163,67.02,11.03,8.020,40.022,39.023,36.024,33.026,31.043,49.046,50.059,69]tetraheptaconta-2(11),3(8),5,9,16,18,23(36),24,26,28,30,32,34,37,51,53,63(68),64,66,73-icosaen-41,60-diyne-72,1'-cyclopentane]-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-50-methyl-7-oxospiro[4,12-dioxa-55,58,70-triazaheptadecacyclo[51.8.6.216,19.222,25.120,55.151,54.163,67.02,11.03,8.020,40.022,39.023,36.024,33.026,31.043,49.046,50.059,69]tetraheptaconta-2(11),3(8),5,9,16,18,23(36),24,26,28,30,32,34,37,51,53,63(68),64,66,73-icosaen-41,60-diyne-72,1'-cyclopentane]-17-yl]guanidine
• 英文别名: 2-[14-(hydroxymethyl)-5-(4-hydroxyphenyl)-9-(3-hydroxy-5-phenylpent-4-enoxy)-10-methoxy-50-methyl-7-oxospiro[4,12-dioxa-55,58,70-triazaheptadecacyclo[51.8.6.216,19.222,25.120,55.151,54.163,67.02,11.03,8.020,40.022,39.023,36.024,33.026,31.043,49.046,50.059,69]tetraheptaconta-2(11),3(8),5,9,16,18,23(36),24,26,28,30,32,34,37,51,53,63(68),64,66,73-icosaen-41,60-diyne-72,1'-cyclopentane]-17-yl]guanidine
• 化学式: C₉₄H₉₀N₆O₈
• 分子量: 1431.8
• InChiKey: IMPZOVACWCALID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.1
• 重原子数：
  108
• 可旋转键数：
  10
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  210
• 氢给体数：
  7
• 氢受体数：
  11