3,4,15,16,19,20,21,32,33,34,37,38,39,45,52,53,54-Heptadecahydroxy-25,28,43,46,49-pentaoxa-6,13-dioxoniaundecacyclo[49.3.1.02,11.05,10.08,17.09,14.018,23.026,47.027,44.030,35.036,41]pentapentaconta-1(55),2(11),3,8(17),9,15,18,20,22,30,32,34,36,38,40,51,53-heptadecaene-7,12,24,29,42,50-hexone

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: 3,4,15,16,19,20,21,32,33,34,37,38,39,45,52,53,54-Heptadecahydroxy-25,28,43,46,49-pentaoxa-6,13-dioxoniaundecacyclo[49.3.1.02,11.05,10.08,17.09,14.018,23.026,47.027,44.030,35.036,41]pentapentaconta-1(55),2(11),3,8(17),9,15,18,20,22,30,32,34,36,38,40,51,53-heptadecaene-7,12,24,29,42,50-hexone
• 英文别名: 3,4,15,16,19,20,21,32,33,34,37,38,39,45,52,53,54-heptadecahydroxy-25,28,43,46,49-pentaoxa-6,13-dioxoniaundecacyclo[49.3.1.02,11.05,10.08,17.09,14.018,23.026,47.027,44.030,35.036,41]pentapentaconta-1(55),2(11),3,8(17),9,15,18,20,22,30,32,34,36,38,40,51,53-heptadecaene-7,12,24,29,42,50-hexone
• 化学式: C48H32O30+2
• 分子量: 1088.7
• InChiKey: GCODZHGREDHIIY-UHFFFAOYSA-P

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  78
• 可旋转键数：
  0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  495
• 氢给体数：
  19
• 氢受体数：
  28