21-(4-Cyclopentyl-4-hydroxybutyl)-30-(diaminomethyl)-3,11,45-trihydroxy-9-oxa-26,27-dithia-37-azaoctacyclo[27.13.2.220,24.12,6.110,14.120,24.032,43.036,40]nonatetraconta-2,4,6(49),10,12,14(48),18,29(44),30,32(43),36(40),38-dodecaen-33-yne-17,41-dione

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 21-(4-Cyclopentyl-4-hydroxybutyl)-30-(diaminomethyl)-3,11,45-trihydroxy-9-oxa-26,27-dithia-37-azaoctacyclo[27.13.2.220,24.12,6.110,14.120,24.032,43.036,40]nonatetraconta-2,4,6(49),10,12,14(48),18,29(44),30,32(43),36(40),38-dodecaen-33-yne-17,41-dione
• 英文别名: 21-(4-cyclopentyl-4-hydroxybutyl)-30-(diaminomethyl)-3,11,45-trihydroxy-9-oxa-26,27-dithia-37-azaoctacyclo[27.13.2.220,24.12,6.110,14.120,24.032,43.036,40]nonatetraconta-2,4,6(49),10,12,14(48),18,29(44),30,32(43),36(40),38-dodecaen-33-yne-17,41-dione
• 化学式: C₅₅H₆₅N₃O₇S₂
• 分子量: 944.3
• InChiKey: IHACHMRSQJEUHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  67
• 可旋转键数：
  6
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  243
• 氢给体数：
  7
• 氢受体数：
  11