3'-Benzyl-2,4,5,6-tetrahydroxy-19-(hydroxymethyl)-55-methyl-16-(methylamino)-12-oxo-39-phenylspiro[13,60-dioxa-48,49-dithiapentadecacyclo[44.12.2.13,56.18,15.151,54.02,32.05,31.06,28.09,28.010,14.018,23.034,42.034,59.035,45.037,42]trihexaconta-10,18(23),19,21-tetraen-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: 3'-Benzyl-2,4,5,6-tetrahydroxy-19-(hydroxymethyl)-55-methyl-16-(methylamino)-12-oxo-39-phenylspiro[13,60-dioxa-48,49-dithiapentadecacyclo[44.12.2.13,56.18,15.151,54.02,32.05,31.06,28.09,28.010,14.018,23.034,42.034,59.035,45.037,42]trihexaconta-10,18(23),19,21-tetraen-24-yne-26,1'-cyclopentane]-32-carbaldehyde
• 化学式: C₈₀H₉₉NO₉S₂
• 分子量: 1282.8
• InChiKey: JWJWFEZALVNAQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.6
• 重原子数：
  92
• 可旋转键数：
  6
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  216
• 氢给体数：
  6
• 氢受体数：
  12