85-(Diaminomethyl)-11,19,41,69,77-pentahydroxy-82-(hydroxymethyl)-13-oxa-37,38,43,44-tetrathia-27-azahexadecacyclo[40.30.2.232,35.247,71.257,60.12,40.12,41.18,12.116,20.146,51.147,67.150,54.163,69.021,33.024,28.048,71]octaoctaconta-3,8(88),9,11,16(87),17,19,24(28),25,32,34,50,52,54(81),57(80),58,60(79),73,75,85-icosaen-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: 85-(Diaminomethyl)-11,19,41,69,77-pentahydroxy-82-(hydroxymethyl)-13-oxa-37,38,43,44-tetrathia-27-azahexadecacyclo[40.30.2.232,35.247,71.257,60.12,40.12,41.18,12.116,20.146,51.147,67.150,54.163,69.021,33.024,28.048,71]octaoctaconta-3,8(88),9,11,16(87),17,19,24(28),25,32,34,50,52,54(81),57(80),58,60(79),73,75,85-icosaen-30-yne-5,23-dione
• 英文别名: 85-(diaminomethyl)-11,19,41,69,77-pentahydroxy-82-(hydroxymethyl)-13-oxa-37,38,43,44-tetrathia-27-azahexadecacyclo[40.30.2.232,35.247,71.257,60.12,40.12,41.18,12.116,20.146,51.147,67.150,54.163,69.021,33.024,28.048,71]octaoctaconta-3,8(88),9,11,16(87),17,19,24(28),25,32,34,50,52,54(81),57(80),58,60(79),73,75,85-icosaen-30-yne-5,23-dione
• 化学式: C₈₄H₉₃N₃O₉S₄
• 分子量: 1416.9
• InChiKey: GNMLUHASGBGXCQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.2
• 重原子数：
  100
• 可旋转键数：
  2
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  334
• 氢给体数：
  9
• 氢受体数：
  15