22,23,38,41-Tetrahydroxy-24-(hydroxymethyl)-36-[[3-(hydroxymethyl)phenyl]methyl]-33,39-dioxospiro[25,27-dioxa-3,4-dithia-6,8-diazadecacyclo[26.10.2.17,11.120,24.122,26.01,34.010,18.012,16.012,21.032,40]tritetraconta-7(43),10,28,30,32(40),35,37-heptaene-14,2'-cyclopentane]-1'-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: 22,23,38,41-Tetrahydroxy-24-(hydroxymethyl)-36-[[3-(hydroxymethyl)phenyl]methyl]-33,39-dioxospiro[25,27-dioxa-3,4-dithia-6,8-diazadecacyclo[26.10.2.17,11.120,24.122,26.01,34.010,18.012,16.012,21.032,40]tritetraconta-7(43),10,28,30,32(40),35,37-heptaene-14,2'-cyclopentane]-1'-carbaldehyde
• 英文别名: 22,23,38,41-tetrahydroxy-24-(hydroxymethyl)-36-[[3-(hydroxymethyl)phenyl]methyl]-33,39-dioxospiro[25,27-dioxa-3,4-dithia-6,8-diazadecacyclo[26.10.2.17,11.120,24.122,26.01,34.010,18.012,16.012,21.032,40]tritetraconta-7(43),10,28,30,32(40),35,37-heptaene-14,2'-cyclopentane]-1'-carbaldehyde
• 化学式: C₅₁H₅₆N₂O₁₁S₂
• 分子量: 937.1
• InChiKey: NTAUPIGZERXGGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  66
• 可旋转键数：
  5
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  266
• 氢给体数：
  8
• 氢受体数：
  15