2-[55-(Hydroxymethyl)-46-(4-hydroxyphenyl)-50-(3-hydroxy-5-phenylpent-4-enoxy)-51-methoxy-31-methyl-48-oxospiro[45,53-dioxa-33,63,66-triazahexadecacyclo[32.26.6.23,6.257,60.132,35.136,40.01,21.03,20.04,17.05,14.07,12.024,30.027,31.043,52.044,49.061,66]doheptaconta-4(17),5,7,9,11,13,15,18,32(70),34,36,38,40(69),43,46,49,51,57,59,67-icosaen-22-yne-72,1'-cyclopentane]-58-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-[55-(Hydroxymethyl)-46-(4-hydroxyphenyl)-50-(3-hydroxy-5-phenylpent-4-enoxy)-51-methoxy-31-methyl-48-oxospiro[45,53-dioxa-33,63,66-triazahexadecacyclo[32.26.6.23,6.257,60.132,35.136,40.01,21.03,20.04,17.05,14.07,12.024,30.027,31.043,52.044,49.061,66]doheptaconta-4(17),5,7,9,11,13,15,18,32(70),34,36,38,40(69),43,46,49,51,57,59,67-icosaen-22-yne-72,1'-cyclopentane]-58-yl]guanidine
• 化学式: C₉₂H₉₂N₆O₈
• 分子量: 1409.7
• InChiKey: UMMPPWBXDIFLME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.2
• 重原子数：
  106
• 可旋转键数：
  10
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  210
• 氢给体数：
  7
• 氢受体数：
  11