3,8,13,20,57,67-Hexahydroxy-69-(2-hydroxyethyl)-58-(2-methylpropyl)-11,71-dioxa-17,18,42,43,62,63-hexathia-65-azapentadecacyclo[46.11.4.334,40.12,6.112,21.125,33.145,49.150,54.05,10.09,23.019,28.022,27.026,31.056,60.037,67]henheptaconta-1(60),2,5,7,9,22,24,26(31),27,29,50,52,54(64),56,58-pentadecaen-4-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 3,8,13,20,57,67-Hexahydroxy-69-(2-hydroxyethyl)-58-(2-methylpropyl)-11,71-dioxa-17,18,42,43,62,63-hexathia-65-azapentadecacyclo[46.11.4.334,40.12,6.112,21.125,33.145,49.150,54.05,10.09,23.019,28.022,27.026,31.056,60.037,67]henheptaconta-1(60),2,5,7,9,22,24,26(31),27,29,50,52,54(64),56,58-pentadecaen-4-one
• 英文别名: 3,8,13,20,57,67-hexahydroxy-69-(2-hydroxyethyl)-58-(2-methylpropyl)-11,71-dioxa-17,18,42,43,62,63-hexathia-65-azapentadecacyclo[46.11.4.334,40.12,6.112,21.125,33.145,49.150,54.05,10.09,23.019,28.022,27.026,31.056,60.037,67]henheptaconta-1(60),2,5,7,9,22,24,26(31),27,29,50,52,54(64),56,58-pentadecaen-4-one
• 化学式: C₆₈H₇₇NO₁₀S₆
• 分子量: 1260.7
• InChiKey: NGMSMGQSIAPOPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.1
• 重原子数：
  85
• 可旋转键数：
  4
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  341
• 氢给体数：
  8
• 氢受体数：
  17