7,40,92,93-Tetrahydroxy-12,12,35,35,56,56,79,79-octamethyl-2a,6,41,50,85,91,94,99-octaoxa-19,28,63,72-tetrazoniaheptadecacyclo[84.2.2.22,5.25,8.239,42.242,45.246,49.249,52.283,86.011,19.013,18.028,36.029,34.055,63.057,62.072,80.073,78]tetrahecta-7,9,11(19),13,15,17,28(36),29,31,33,37,39,52(93),53,55(63),57,59,61,72(80),73,75,77,81,83(92)-tetracosaene-a,1a,51,84-tetrone

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 7,40,92,93-Tetrahydroxy-12,12,35,35,56,56,79,79-octamethyl-2a,6,41,50,85,91,94,99-octaoxa-19,28,63,72-tetrazoniaheptadecacyclo[84.2.2.22,5.25,8.239,42.242,45.246,49.249,52.283,86.011,19.013,18.028,36.029,34.055,63.057,62.072,80.073,78]tetrahecta-7,9,11(19),13,15,17,28(36),29,31,33,37,39,52(93),53,55(63),57,59,61,72(80),73,75,77,81,83(92)-tetracosaene-a,1a,51,84-tetrone
• 英文别名: 7,40,92,93-tetrahydroxy-12,12,35,35,56,56,79,79-octamethyl-2a,6,41,50,85,91,94,99-octaoxa-19,28,63,72-tetrazoniaheptadecacyclo[84.2.2.22,5.25,8.239,42.242,45.246,49.249,52.283,86.011,19.013,18.028,36.029,34.055,63.057,62.072,80.073,78]tetrahecta-7,9,11(19),13,15,17,28(36),29,31,33,37,39,52(93),53,55(63),57,59,61,72(80),73,75,77,81,83(92)-tetracosaene-a,1a,51,84-tetrone
• 化学式: C100H120N4O16+4
• 分子量: 1634.0
• InChiKey: OQIDXKWTQVFJDE-UHFFFAOYSA-R

计算性质

• 辛醇/水分配系数(LogP)：
  19.2
• 重原子数：
  120
• 可旋转键数：
  0
• 环数：
  29.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  235
• 氢给体数：
  4
• 氢受体数：
  16