3,5-Dihydroxy-2-(hydroxymethyl)-7-[[4-(2-methoxyethyl)phenyl]methyl]-19,22,25-trimethyl-15,43-dipropyl-6-oxadodecacyclo[27.11.1.15,8.118,22.01,11.02,8.011,19.018,29.027,32.030,39.031,36.026,42]tritetraconta-30(39),31(36),32,34,37-pentaen-12-yne-25-carboxylic acid

• 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: 3,5-Dihydroxy-2-(hydroxymethyl)-7-[[4-(2-methoxyethyl)phenyl]methyl]-19,22,25-trimethyl-15,43-dipropyl-6-oxadodecacyclo[27.11.1.15,8.118,22.01,11.02,8.011,19.018,29.027,32.030,39.031,36.026,42]tritetraconta-30(39),31(36),32,34,37-pentaen-12-yne-25-carboxylic acid
• 英文别名: 3,5-dihydroxy-2-(hydroxymethyl)-7-[[4-(2-methoxyethyl)phenyl]methyl]-19,22,25-trimethyl-15,43-dipropyl-6-oxadodecacyclo[27.11.1.15,8.118,22.01,11.02,8.011,19.018,29.027,32.030,39.031,36.026,42]tritetraconta-30(39),31(36),32,34,37-pentaen-12-yne-25-carboxylic acid
• 化学式: C₆₃H₈₀O₇
• 分子量: 949.3
• InChiKey: AGZQYKGTUGNWFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.8
• 重原子数：
  70
• 可旋转键数：
  11
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  116
• 氢给体数：
  4
• 氢受体数：
  7