29-(Diaminomethyl)-20-[5,6-dihydroxy-3-[2-[2-(2-hydroxyethyl)phenyl]ethyl]hexyl]-3,11,22-trihydroxy-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)-20-[5,6-dihydroxy-3-[2-[2-(2-hydroxyethyl)phenyl]ethyl]hexyl]-3,11,22-trihydroxy-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)-20-[5,6-dihydroxy-3-[2-[2-(2-hydroxyethyl)phenyl]ethyl]hexyl]-3,11,22-trihydroxy-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: C₅₉H₆₉N₃O₉S₂
• 分子量: 1028.3
• InChiKey: YGQRTCLELKNCMY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  73
• 可旋转键数：
  12
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  283
• 氢给体数：
  9
• 氢受体数：
  13