30-Benzyl-41-(1-cyclopentylethyl)-1,2,37,44,46-pentahydroxy-15-(hydroxymethyl)-12-(methylamino)-8-oxo-9-oxaundecacyclo[24.18.1.14,11.131,34.134,38.02,24.05,24.06,10.014,19.036,45.037,43]octatetraconta-6,14(19),15,17-tetraen-20,27-diyne-36-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: 30-Benzyl-41-(1-cyclopentylethyl)-1,2,37,44,46-pentahydroxy-15-(hydroxymethyl)-12-(methylamino)-8-oxo-9-oxaundecacyclo[24.18.1.14,11.131,34.134,38.02,24.05,24.06,10.014,19.036,45.037,43]octatetraconta-6,14(19),15,17-tetraen-20,27-diyne-36-carbaldehyde
• 英文别名: 30-benzyl-41-(1-cyclopentylethyl)-1,2,37,44,46-pentahydroxy-15-(hydroxymethyl)-12-(methylamino)-8-oxo-9-oxaundecacyclo[24.18.1.14,11.131,34.134,38.02,24.05,24.06,10.014,19.036,45.037,43]octatetraconta-6,14(19),15,17-tetraen-20,27-diyne-36-carbaldehyde
• 化学式: C₆₄H₇₉NO₉
• 分子量: 1006.3
• InChiKey: ICAGDPIOMFUGQY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  74
• 可旋转键数：
  7
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  177
• 氢给体数：
  7
• 氢受体数：
  10