3,8,25,34,57,70-Hexahydroxy-13-(2-hydroxyethyl)-14-(3-hydroxypropyl)-58-(2-methylpropyl)spiro[71,74-dioxa-29,30,62,63-tetrathia-48-azapentadecacyclo[44.13.6.25,24.233,36.12,6.112,16.122,31.140,44.150,54.010,21.019,31.049,64.056,60.09,72.020,73]tetraheptaconta-1(60),2,5,7,9(72),10(21),11,16(73),17,19,33,35,40,42,44(67),50,52,54(66),56,58,68-henicosaene-37,1'-cyclohexane]-4,38-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: 3,8,25,34,57,70-Hexahydroxy-13-(2-hydroxyethyl)-14-(3-hydroxypropyl)-58-(2-methylpropyl)spiro[71,74-dioxa-29,30,62,63-tetrathia-48-azapentadecacyclo[44.13.6.25,24.233,36.12,6.112,16.122,31.140,44.150,54.010,21.019,31.049,64.056,60.09,72.020,73]tetraheptaconta-1(60),2,5,7,9(72),10(21),11,16(73),17,19,33,35,40,42,44(67),50,52,54(66),56,58,68-henicosaene-37,1'-cyclohexane]-4,38-dione
• 英文别名: 3,8,25,34,57,70-hexahydroxy-13-(2-hydroxyethyl)-14-(3-hydroxypropyl)-58-(2-methylpropyl)spiro[71,74-dioxa-29,30,62,63-tetrathia-48-azapentadecacyclo[44.13.6.25,24.233,36.12,6.112,16.122,31.140,44.150,54.010,21.019,31.049,64.056,60.09,72.020,73]tetraheptaconta-1(60),2,5,7,9(72),10(21),11,16(73),17,19,33,35,40,42,44(67),50,52,54(66),56,58,68-henicosaene-37,1'-cyclohexane]-4,38-dione
• 化学式: C₈₁H₈₇NO₁₂S₄
• 分子量: 1394.8
• InChiKey: VIILWJAUXVDOCB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.4
• 重原子数：
  98
• 可旋转键数：
  7
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  328
• 氢给体数：
  9
• 氢受体数：
  17