16-(3,4-Dihydroxybut-1-enyl)-4',19,48,59-tetrahydroxy-43,44,49,54,58-pentamethylspiro[2,7,11,17,21,26,33,37,41,46,51,57-dodecaoxadodecacyclo[30.28.0.03,27.06,25.08,22.010,20.012,18.034,58.036,56.038,52.040,50.042,47]hexaconta-4,23,29-triene-45,2'-oxolane]-14-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 雪卡毒素
• 英文名称: 16-(3,4-Dihydroxybut-1-enyl)-4',19,48,59-tetrahydroxy-43,44,49,54,58-pentamethylspiro[2,7,11,17,21,26,33,37,41,46,51,57-dodecaoxadodecacyclo[30.28.0.03,27.06,25.08,22.010,20.012,18.034,58.036,56.038,52.040,50.042,47]hexaconta-4,23,29-triene-45,2'-oxolane]-14-one
• 英文别名: 16-(3,4-dihydroxybut-1-enyl)-4',19,48,59-tetrahydroxy-43,44,49,54,58-pentamethylspiro[2,7,11,17,21,26,33,37,41,46,51,57-dodecaoxadodecacyclo[30.28.0.03,27.06,25.08,22.010,20.012,18.034,58.036,56.038,52.040,50.042,47]hexaconta-4,23,29-triene-45,2'-oxolane]-14-one
• 化学式: C₆₀H₈₆O₂₀
• 分子量: 1127.3
• InChiKey: UNXJZYZQFRPZGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  80
• 可旋转键数：
  3
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  258
• 氢给体数：
  6
• 氢受体数：
  20