48-Benzyl-2,7,8,33,56-pentahydroxy-49-[4-hydroxy-2-(hydroxymethyl)-5-methoxyphenyl]spiro[36,37-dithia-43-azatetradecacyclo[26.23.3.223,26.130,34.03,45.04,13.04,42.05,10.011,16.014,22.014,40.016,20.024,39.031,53]heptapentaconta-5,7,9,21,24(39),25,28,30,53-nonaen-46-yne-27,1'-cyclohexane]-51-one

• 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: 48-Benzyl-2,7,8,33,56-pentahydroxy-49-[4-hydroxy-2-(hydroxymethyl)-5-methoxyphenyl]spiro[36,37-dithia-43-azatetradecacyclo[26.23.3.223,26.130,34.03,45.04,13.04,42.05,10.011,16.014,22.014,40.016,20.024,39.031,53]heptapentaconta-5,7,9,21,24(39),25,28,30,53-nonaen-46-yne-27,1'-cyclohexane]-51-one
• 英文别名: 48-benzyl-2,7,8,33,56-pentahydroxy-49-[4-hydroxy-2-(hydroxymethyl)-5-methoxyphenyl]spiro[36,37-dithia-43-azatetradecacyclo[26.23.3.223,26.130,34.03,45.04,13.04,42.05,10.011,16.014,22.014,40.016,20.024,39.031,53]heptapentaconta-5,7,9,21,24(39),25,28,30,53-nonaen-46-yne-27,1'-cyclohexane]-51-one
• 化学式: C₇₄H₈₁NO₉S₂
• 分子量: 1192.6
• InChiKey: BEHLBSAPYGARIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.6
• 重原子数：
  86
• 可旋转键数：
  5
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  231
• 氢给体数：
  8
• 氢受体数：
  12