27-[2-[4-Hydroxy-3-[(3-hydroxyphenyl)methyl]phenyl]ethyl]-15-(hydroxymethyl)-32-(methoxymethylamino)-18-(2-methylpropyl)-7-spiro[6-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),11(15),12-triene-5,1'-cyclohexane]-16-yl-11,36-dioxa-2,33-diazaheptacyclo[21.10.3.12,5.116,20.04,9.012,17.030,34]octatriaconta-1(34),3,5(38),6,8,12,14,16,30-nonaen-28-yne-13,21-diol

• 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: 27-[2-[4-Hydroxy-3-[(3-hydroxyphenyl)methyl]phenyl]ethyl]-15-(hydroxymethyl)-32-(methoxymethylamino)-18-(2-methylpropyl)-7-spiro[6-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),11(15),12-triene-5,1'-cyclohexane]-16-yl-11,36-dioxa-2,33-diazaheptacyclo[21.10.3.12,5.116,20.04,9.012,17.030,34]octatriaconta-1(34),3,5(38),6,8,12,14,16,30-nonaen-28-yne-13,21-diol
• 英文别名: 27-[2-[4-hydroxy-3-[(3-hydroxyphenyl)methyl]phenyl]ethyl]-15-(hydroxymethyl)-32-(methoxymethylamino)-18-(2-methylpropyl)-7-spiro[6-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),11(15),12-triene-5,1'-cyclohexane]-16-yl-11,36-dioxa-2,33-diazaheptacyclo[21.10.3.12,5.116,20.04,9.012,17.030,34]octatriaconta-1(34),3,5(38),6,8,12,14,16,30-nonaen-28-yne-13,21-diol
• 化学式: C₇₆H₈₉N₃O₉
• 分子量: 1188.5
• InChiKey: YCTVVEJCVYMNCI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.2
• 重原子数：
  88
• 可旋转键数：
  12
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  167
• 氢给体数：
  7
• 氢受体数：
  11