63-(Diaminomethyl)-56-(2,3-dihydroxypropyl)-11,19,41-trihydroxy-47-(hydroxymethyl)-13-oxa-37,38,43,44-tetrathia-27-azaundecacyclo[40.15.2.232,35.12,40.12,41.18,12.116,20.146,55.021,33.024,28.048,53]hexahexaconta-3,8(66),9,11,16(65),17,19,24(28),25,32,34,48,50,52,58,63-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: 63-(Diaminomethyl)-56-(2,3-dihydroxypropyl)-11,19,41-trihydroxy-47-(hydroxymethyl)-13-oxa-37,38,43,44-tetrathia-27-azaundecacyclo[40.15.2.232,35.12,40.12,41.18,12.116,20.146,55.021,33.024,28.048,53]hexahexaconta-3,8(66),9,11,16(65),17,19,24(28),25,32,34,48,50,52,58,63-hexadecaen-30-yne-5,23-dione
• 英文别名: 63-(diaminomethyl)-56-(2,3-dihydroxypropyl)-11,19,41-trihydroxy-47-(hydroxymethyl)-13-oxa-37,38,43,44-tetrathia-27-azaundecacyclo[40.15.2.232,35.12,40.12,41.18,12.116,20.146,55.021,33.024,28.048,53]hexahexaconta-3,8(66),9,11,16(65),17,19,24(28),25,32,34,48,50,52,58,63-hexadecaen-30-yne-5,23-dione
• 化学式: C₆₅H₇₃N₃O₉S₄
• 分子量: 1168.6
• InChiKey: WUBUDSLUCJJGIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  81
• 可旋转键数：
  5
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  334
• 氢给体数：
  9
• 氢受体数：
  15