87-(Diaminomethyl)-11,19,41,71,72-pentahydroxy-47-(hydroxymethyl)-13-oxa-37,38,43,44-tetrathia-27-azaheptadecacyclo[40.33.2.232,35.251,64.256,74.259,70.12,40.12,41.18,12.116,20.158,72.021,33.024,28.046,56.048,53.055,74.062,67]nonaconta-3,8(90),9,11,16(89),17,19,24(28),25,32,34,48(53),49,51,60,62(67),63,65,76,78,87-henicosaen-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: 87-(Diaminomethyl)-11,19,41,71,72-pentahydroxy-47-(hydroxymethyl)-13-oxa-37,38,43,44-tetrathia-27-azaheptadecacyclo[40.33.2.232,35.251,64.256,74.259,70.12,40.12,41.18,12.116,20.158,72.021,33.024,28.046,56.048,53.055,74.062,67]nonaconta-3,8(90),9,11,16(89),17,19,24(28),25,32,34,48(53),49,51,60,62(67),63,65,76,78,87-henicosaen-30-yne-5,23-dione
• 英文别名: 87-(diaminomethyl)-11,19,41,71,72-pentahydroxy-47-(hydroxymethyl)-13-oxa-37,38,43,44-tetrathia-27-azaheptadecacyclo[40.33.2.232,35.251,64.256,74.259,70.12,40.12,41.18,12.116,20.158,72.021,33.024,28.046,56.048,53.055,74.062,67]nonaconta-3,8(90),9,11,16(89),17,19,24(28),25,32,34,48(53),49,51,60,62(67),63,65,76,78,87-henicosaen-30-yne-5,23-dione
• 化学式: C₈₆H₉₃N₃O₉S₄
• 分子量: 1440.9
• InChiKey: NNWBWPZVGXFMKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.2
• 重原子数：
  102
• 可旋转键数：
  2
• 环数：
  17.0
• 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