3,8,25,58,72-Pentahydroxy-13-(2-hydroxyethyl)-14-(3-hydroxypropyl)-59-(2-methylpropyl)-73,76-dioxa-29,30,63,64-tetrathia-49-azahexadecacyclo[45.13.6.25,24.233,36.12,6.112,16.122,31.137,40.141,45.151,55.010,21.019,31.050,65.057,61.09,74.020,75]hexaheptaconta-1(61),2,5,7,9(74),10(21),11,16(75),17,19,33,35,38,41,43,45(68),51,53,55(67),57,59,70-docosaene-4,69-dione

• 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: 3,8,25,58,72-Pentahydroxy-13-(2-hydroxyethyl)-14-(3-hydroxypropyl)-59-(2-methylpropyl)-73,76-dioxa-29,30,63,64-tetrathia-49-azahexadecacyclo[45.13.6.25,24.233,36.12,6.112,16.122,31.137,40.141,45.151,55.010,21.019,31.050,65.057,61.09,74.020,75]hexaheptaconta-1(61),2,5,7,9(74),10(21),11,16(75),17,19,33,35,38,41,43,45(68),51,53,55(67),57,59,70-docosaene-4,69-dione
• 英文别名: 3,8,25,58,72-pentahydroxy-13-(2-hydroxyethyl)-14-(3-hydroxypropyl)-59-(2-methylpropyl)-73,76-dioxa-29,30,63,64-tetrathia-49-azahexadecacyclo[45.13.6.25,24.233,36.12,6.112,16.122,31.137,40.141,45.151,55.010,21.019,31.050,65.057,61.09,74.020,75]hexaheptaconta-1(61),2,5,7,9(74),10(21),11,16(75),17,19,33,35,38,41,43,45(68),51,53,55(67),57,59,70-docosaene-4,69-dione
• 化学式: C₇₈H₇₉NO₁₁S₄
• 分子量: 1334.7
• InChiKey: MAVZDPCSGNOGOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.4
• 重原子数：
  94
• 可旋转键数：
  7
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  307
• 氢给体数：
  8
• 氢受体数：
  16