2-[33'-(Hydroxymethyl)-24'-(4-hydroxyphenyl)-28'-(3-hydroxy-5-phenylpent-4-enoxy)-29'-methoxy-11'-(1-methylcyclopentyl)-26'-oxospiro[1,3,3a,9b-tetrahydrocyclopenta[a]naphthalene-2,2'-23,31-dioxa-5,8,10-triazaheptacyclo[33.2.2.114,18.03,8.09,13.021,30.022,27]tetraconta-1(37),9(13),11,14,16,18(40),21,24,27,29,35,38-dodecaene]-36'-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-[33'-(Hydroxymethyl)-24'-(4-hydroxyphenyl)-28'-(3-hydroxy-5-phenylpent-4-enoxy)-29'-methoxy-11'-(1-methylcyclopentyl)-26'-oxospiro[1,3,3a,9b-tetrahydrocyclopenta[a]naphthalene-2,2'-23,31-dioxa-5,8,10-triazaheptacyclo[33.2.2.114,18.03,8.09,13.021,30.022,27]tetraconta-1(37),9(13),11,14,16,18(40),21,24,27,29,35,38-dodecaene]-36'-yl]guanidine
• 英文别名: 2-[33'-(hydroxymethyl)-24'-(4-hydroxyphenyl)-28'-(3-hydroxy-5-phenylpent-4-enoxy)-29'-methoxy-11'-(1-methylcyclopentyl)-26'-oxospiro[1,3,3a,9b-tetrahydrocyclopenta[a]naphthalene-2,2'-23,31-dioxa-5,8,10-triazaheptacyclo[33.2.2.114,18.03,8.09,13.021,30.022,27]tetraconta-1(37),9(13),11,14,16,18(40),21,24,27,29,35,38-dodecaene]-36'-yl]guanidine
• 化学式: C₇₃H₇₈N₆O₈
• 分子量: 1167.4
• InChiKey: RXEDKTIEIISZQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12
• 重原子数：
  87
• 可旋转键数：
  11
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  210
• 氢给体数：
  7
• 氢受体数：
  11