51-(Diaminomethyl)-3,11,25,44-tetrahydroxy-25,38-bis(hydroxymethyl)-34-(2-phenylethyl)-9-oxa-41,42,47,48-tetrathia-58-azaundecacyclo[48.13.2.12,6.110,14.120,44.120,45.023,30.029,39.032,37.053,64.057,61]nonahexaconta-2,4,6(69),10,12,14(68),18,32(37),33,35,50(65),51,53(64),57(61),59-pentadecaen-54-yne-17,62-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: 51-(Diaminomethyl)-3,11,25,44-tetrahydroxy-25,38-bis(hydroxymethyl)-34-(2-phenylethyl)-9-oxa-41,42,47,48-tetrathia-58-azaundecacyclo[48.13.2.12,6.110,14.120,44.120,45.023,30.029,39.032,37.053,64.057,61]nonahexaconta-2,4,6(69),10,12,14(68),18,32(37),33,35,50(65),51,53(64),57(61),59-pentadecaen-54-yne-17,62-dione
• 英文别名: 51-(diaminomethyl)-3,11,25,44-tetrahydroxy-25,38-bis(hydroxymethyl)-34-(2-phenylethyl)-9-oxa-41,42,47,48-tetrathia-58-azaundecacyclo[48.13.2.12,6.110,14.120,44.120,45.023,30.029,39.032,37.053,64.057,61]nonahexaconta-2,4,6(69),10,12,14(68),18,32(37),33,35,50(65),51,53(64),57(61),59-pentadecaen-54-yne-17,62-dione
• 化学式: C₇₄H₈₅N₃O₉S₄
• 分子量: 1288.7
• InChiKey: HMQRCKMQWKMQCR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.1
• 重原子数：
  90
• 可旋转键数：
  6
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  334
• 氢给体数：
  9
• 氢受体数：
  15