31-[2-[4-Hydroxy-3-[(3-hydroxyphenyl)methyl]phenyl]ethyl]-15-(hydroxymethyl)-38-methoxy-7-(10-oxahexacyclo[17.3.1.04,9.09,22.012,21.015,20]tricosa-15(20),16,18-trien-21-yl)-11,24-dioxa-2,39,41-triazanonacyclo[23.16.1.12,5.116,20.04,9.012,17.023,28.034,42.035,40]tetratetraconta-1(42),3,5(44),6,8,12,14,16,18,26,34-undecaen-32-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: 31-[2-[4-Hydroxy-3-[(3-hydroxyphenyl)methyl]phenyl]ethyl]-15-(hydroxymethyl)-38-methoxy-7-(10-oxahexacyclo[17.3.1.04,9.09,22.012,21.015,20]tricosa-15(20),16,18-trien-21-yl)-11,24-dioxa-2,39,41-triazanonacyclo[23.16.1.12,5.116,20.04,9.012,17.023,28.034,42.035,40]tetratetraconta-1(42),3,5(44),6,8,12,14,16,18,26,34-undecaen-32-yne-13,21-diol
• 英文别名: 31-[2-[4-hydroxy-3-[(3-hydroxyphenyl)methyl]phenyl]ethyl]-15-(hydroxymethyl)-38-methoxy-7-(10-oxahexacyclo[17.3.1.04,9.09,22.012,21.015,20]tricosa-15(20),16,18-trien-21-yl)-11,24-dioxa-2,39,41-triazanonacyclo[23.16.1.12,5.116,20.04,9.012,17.023,28.034,42.035,40]tetratetraconta-1(42),3,5(44),6,8,12,14,16,18,26,34-undecaen-32-yne-13,21-diol
• 化学式: C₇₈H₈₃N₃O₉
• 分子量: 1206.5
• InChiKey: ZLDOAUOBGUWMHU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.4
• 重原子数：
  90
• 可旋转键数：
  8
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  167
• 氢给体数：
  7
• 氢受体数：
  11