2,4,5,6-Tetrahydroxy-19-(hydroxymethyl)-58-methyl-16-(methylamino)-12-oxo-39-phenylspiro[13,63-dioxaheptadecacyclo[44.15.2.21,46.13,59.18,15.148,52.154,57.02,32.05,31.06,28.09,28.010,14.018,23.034,42.034,62.035,45.037,42]nonahexaconta-10,18(23),19,21,48,50,52(66)-heptaen-24-yne-26,1'-cyclopentane]-32-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: 2,4,5,6-Tetrahydroxy-19-(hydroxymethyl)-58-methyl-16-(methylamino)-12-oxo-39-phenylspiro[13,63-dioxaheptadecacyclo[44.15.2.21,46.13,59.18,15.148,52.154,57.02,32.05,31.06,28.09,28.010,14.018,23.034,42.034,62.035,45.037,42]nonahexaconta-10,18(23),19,21,48,50,52(66)-heptaen-24-yne-26,1'-cyclopentane]-32-carbaldehyde
• 英文别名: 2,4,5,6-tetrahydroxy-19-(hydroxymethyl)-58-methyl-16-(methylamino)-12-oxo-39-phenylspiro[13,63-dioxaheptadecacyclo[44.15.2.21,46.13,59.18,15.148,52.154,57.02,32.05,31.06,28.09,28.010,14.018,23.034,42.034,62.035,45.037,42]nonahexaconta-10,18(23),19,21,48,50,52(66)-heptaen-24-yne-26,1'-cyclopentane]-32-carbaldehyde
• 化学式: C₈₁H₉₉NO₉
• 分子量: 1230.6
• InChiKey: DNTAZQSZKCPOSL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13
• 重原子数：
  91
• 可旋转键数：
  4
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  166
• 氢给体数：
  6
• 氢受体数：
  10