29-(Diaminomethyl)-3,11,22-trihydroxy-20-[5-hydroxy-3-[2-[3-(2-phenylethyl)phenyl]ethyl]hexyl]-9-oxa-25,26-dithia-36-azaheptacyclo[26.13.2.12,6.110,14.120,23.031,42.035,39]hexatetraconta-2,4,6(46),10,12,14(45),18,28(43),29,31(42),35(39),37-dodecaen-32-yne-17,40-dione

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 29-(Diaminomethyl)-3,11,22-trihydroxy-20-[5-hydroxy-3-[2-[3-(2-phenylethyl)phenyl]ethyl]hexyl]-9-oxa-25,26-dithia-36-azaheptacyclo[26.13.2.12,6.110,14.120,23.031,42.035,39]hexatetraconta-2,4,6(46),10,12,14(45),18,28(43),29,31(42),35(39),37-dodecaen-32-yne-17,40-dione
• 英文别名: 29-(diaminomethyl)-3,11,22-trihydroxy-20-[5-hydroxy-3-[2-[3-(2-phenylethyl)phenyl]ethyl]hexyl]-9-oxa-25,26-dithia-36-azaheptacyclo[26.13.2.12,6.110,14.120,23.031,42.035,39]hexatetraconta-2,4,6(46),10,12,14(45),18,28(43),29,31(42),35(39),37-dodecaen-32-yne-17,40-dione
• 化学式: C₆₅H₇₃N₃O₇S₂
• 分子量: 1072.4
• InChiKey: PYTDMSVITVBLBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.7
• 重原子数：
  77
• 可旋转键数：
  12
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  243
• 氢给体数：
  7
• 氢受体数：
  11