80-(Diaminomethyl)-11,19,41,51,52-pentahydroxy-75-(hydroxymethyl)-13-oxa-37,38,43,44-tetrathia-27-azatetradecacyclo[40.28.2.232,35.256,59.12,40.12,41.18,12.116,20.146,65.151,69.162,66.021,33.024,28.047,68]trioctaconta-3,8(83),9,11,16(82),17,19,24(28),25,32,34,56(77),57,59(76),62(74),63,65,71,80-nonadecaen-30-yne-5,23-dione

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 80-(Diaminomethyl)-11,19,41,51,52-pentahydroxy-75-(hydroxymethyl)-13-oxa-37,38,43,44-tetrathia-27-azatetradecacyclo[40.28.2.232,35.256,59.12,40.12,41.18,12.116,20.146,65.151,69.162,66.021,33.024,28.047,68]trioctaconta-3,8(83),9,11,16(82),17,19,24(28),25,32,34,56(77),57,59(76),62(74),63,65,71,80-nonadecaen-30-yne-5,23-dione
• 英文别名: 80-(diaminomethyl)-11,19,41,51,52-pentahydroxy-75-(hydroxymethyl)-13-oxa-37,38,43,44-tetrathia-27-azatetradecacyclo[40.28.2.232,35.256,59.12,40.12,41.18,12.116,20.146,65.151,69.162,66.021,33.024,28.047,68]trioctaconta-3,8(83),9,11,16(82),17,19,24(28),25,32,34,56(77),57,59(76),62(74),63,65,71,80-nonadecaen-30-yne-5,23-dione
• 化学式: C₇₉H₈₉N₃O₉S₄
• 分子量: 1352.8
• InChiKey: OCPCKDGFJQPRBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.9
• 重原子数：
  95
• 可旋转键数：
  2
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  334
• 氢给体数：
  9
• 氢受体数：
  15