[6-[2-[(22-Acetyloxy-2,21-dihydroxy-4,5,9,9,13,20,20-heptamethyl-23-oxo-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl)oxy]-4,5-dihydroxy-6-[[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxymethyl]oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: [6-[2-[(22-Acetyloxy-2,21-dihydroxy-4,5,9,9,13,20,20-heptamethyl-23-oxo-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl)oxy]-4,5-dihydroxy-6-[[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxymethyl]oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
• 英文别名: [6-[2-[(22-acetyloxy-2,21-dihydroxy-4,5,9,9,13,20,20-heptamethyl-23-oxo-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl)oxy]-4,5-dihydroxy-6-[[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxymethyl]oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
• 化学式: C₆₀H₈₈O₂₃
• 分子量: 1177.3
• InChiKey: WIZIVDYMGITFQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  83
• 可旋转键数：
  15
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  368
• 氢给体数：
  12
• 氢受体数：
  23