68-(Diaminomethyl)-11,19,41,60-tetrahydroxy-47,60-bis(hydroxymethyl)-13-oxa-37,38,43,44-tetrathia-27-azadodecacyclo[40.21.2.232,35.12,40.12,41.18,12.116,20.021,33.024,28.046,56.048,53.055,62]henheptaconta-3,8(71),9,11,16(70),17,19,24(28),25,32,34,48,50,52,64,68-hexadecaen-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: 68-(Diaminomethyl)-11,19,41,60-tetrahydroxy-47,60-bis(hydroxymethyl)-13-oxa-37,38,43,44-tetrathia-27-azadodecacyclo[40.21.2.232,35.12,40.12,41.18,12.116,20.021,33.024,28.046,56.048,53.055,62]henheptaconta-3,8(71),9,11,16(70),17,19,24(28),25,32,34,48,50,52,64,68-hexadecaen-30-yne-5,23-dione
• 英文别名: 68-(diaminomethyl)-11,19,41,60-tetrahydroxy-47,60-bis(hydroxymethyl)-13-oxa-37,38,43,44-tetrathia-27-azadodecacyclo[40.21.2.232,35.12,40.12,41.18,12.116,20.021,33.024,28.046,56.048,53.055,62]henheptaconta-3,8(71),9,11,16(70),17,19,24(28),25,32,34,48,50,52,64,68-hexadecaen-30-yne-5,23-dione
• 化学式: C₆₈H₇₇N₃O₉S₄
• 分子量: 1208.6
• InChiKey: CIXHCTYSMDIMTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  84
• 可旋转键数：
  3
• 环数：
  12.0
• 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