2,42,43-Trihydroxy-29,39-bis(hydroxymethyl)-48-methyl-32-(methylamino)-36-oxo-13-phenylspiro[35,61-dioxaheptadecacyclo[45.15.2.26,10.13,43.133,40.149,52.154,58.02,45.05,10.05,62.07,60.020,39.020,42.025,30.034,38.014,69.018,67]heptaconta-25(30),26,28,37,54(65),55,57-heptaen-16,23-diyne-22,1'-cyclopentane]-3-carbaldehyde

• 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: 2,42,43-Trihydroxy-29,39-bis(hydroxymethyl)-48-methyl-32-(methylamino)-36-oxo-13-phenylspiro[35,61-dioxaheptadecacyclo[45.15.2.26,10.13,43.133,40.149,52.154,58.02,45.05,10.05,62.07,60.020,39.020,42.025,30.034,38.014,69.018,67]heptaconta-25(30),26,28,37,54(65),55,57-heptaen-16,23-diyne-22,1'-cyclopentane]-3-carbaldehyde
• 英文别名: 2,42,43-trihydroxy-29,39-bis(hydroxymethyl)-48-methyl-32-(methylamino)-36-oxo-13-phenylspiro[35,61-dioxaheptadecacyclo[45.15.2.26,10.13,43.133,40.149,52.154,58.02,45.05,10.05,62.07,60.020,39.020,42.025,30.034,38.014,69.018,67]heptaconta-25(30),26,28,37,54(65),55,57-heptaen-16,23-diyne-22,1'-cyclopentane]-3-carbaldehyde
• 化学式: C₈₃H₉₉NO₉
• 分子量: 1254.7
• InChiKey: CDPKMNOIIFDDCY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.1
• 重原子数：
  93
• 可旋转键数：
  5
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  166
• 氢给体数：
  6
• 氢受体数：
  10