29-(Diaminomethyl)-3,11-dihydroxy-20-(3-methyl-5-phenylpentyl)-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 - 有机氧化合物
• 英文名称: 29-(Diaminomethyl)-3,11-dihydroxy-20-(3-methyl-5-phenylpentyl)-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-dihydroxy-20-(3-methyl-5-phenylpentyl)-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: C₅₅H₆₁N₃O₅S₂
• 分子量: 908.2
• InChiKey: UZCLBOARVRMPFZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10
• 重原子数：
  65
• 可旋转键数：
  7
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  202
• 氢给体数：
  5
• 氢受体数：
  9