[2-[[6-[3-(2-carboxyacetyl)oxy-1,4,5,6-tetrahydroxyhexan-2-yl]oxy-11-hydroxy-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-4,7,12-trioxatricyclo[7.3.1.03,8]trideca-1(13),3(8),9-trien-3-yl]oxy]-3,4,5-trihydroxy-5-(4-hydroxycyclohexa-1,3,5-trien-1-yl)pentyl]-[1-hydroxy-3-(4-hydroxycyclohexa-1,3,5-trien-1-yl)prop-2-enyl]oxidanium

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: [2-[[6-[3-(2-carboxyacetyl)oxy-1,4,5,6-tetrahydroxyhexan-2-yl]oxy-11-hydroxy-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-4,7,12-trioxatricyclo[7.3.1.03,8]trideca-1(13),3(8),9-trien-3-yl]oxy]-3,4,5-trihydroxy-5-(4-hydroxycyclohexa-1,3,5-trien-1-yl)pentyl]-[1-hydroxy-3-(4-hydroxycyclohexa-1,3,5-trien-1-yl)prop-2-enyl]oxidanium
• 化学式: C39H41O20+
• InChiKey: WPUJGVMQNGZVHT-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  -1.63
• 重原子数：
  59.0
• 可旋转键数：
  13.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  321.69
• 氢给体数：
  10.0
• 氢受体数：
  18.0