37-Hydroxy-11,12,13,17,19,21,22,24,30,32,34,36,46-tridecamethyl-27-oxopentadecacyclo[23.19.1.110,38.02,23.03,20.04,43.05,18.06,41.07,16.08,39.09,14.029,45.031,44.033,42.035,40]hexatetraconta-1(45),2(23),3,5,7,9,11,13,15,17,19,21,24,28,30,32,34,36,38(46),39,41,43-docosaene-15-sulfonic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 37-Hydroxy-11,12,13,17,19,21,22,24,30,32,34,36,46-tridecamethyl-27-oxopentadecacyclo[23.19.1.110,38.02,23.03,20.04,43.05,18.06,41.07,16.08,39.09,14.029,45.031,44.033,42.035,40]hexatetraconta-1(45),2(23),3,5,7,9,11,13,15,17,19,21,24,28,30,32,34,36,38(46),39,41,43-docosaene-15-sulfonic acid
• 英文别名: 37-hydroxy-11,12,13,17,19,21,22,24,30,32,34,36,46-tridecamethyl-27-oxopentadecacyclo[23.19.1.110,38.02,23.03,20.04,43.05,18.06,41.07,16.08,39.09,14.029,45.031,44.033,42.035,40]hexatetraconta-1(45),2(23),3,5,7,9,11,13,15,17,19,21,24,28,30,32,34,36,38(46),39,41,43-docosaene-15-sulfonic acid
• 化学式: C₅₉H₄₄O₅S
• 分子量: 865.0
• InChiKey: UGQAKHXNKKQWCI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.8
• 重原子数：
  65
• 可旋转键数：
  1
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  100
• 氢给体数：
  2
• 氢受体数：
  5