61-(Diaminomethyl)-3,11,32,54-tetrahydroxy-48-(hydroxymethyl)spiro[9-oxa-51,52,57,58-tetrathia-68-azahexadecacyclo[58.13.2.12,6.110,14.120,54.120,55.121,39.122,53.126,33.132,39.027,31.036,40.036,49.042,47.063,74.067,71]trioctaconta-2,4,6(83),10,12,14(82),18,22(78),37,42,44,46,60(75),61,63(74),67(71),69-heptadecaen-24,64-diyne-28,1'-cyclopentane]-17,72-dione

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 61-(Diaminomethyl)-3,11,32,54-tetrahydroxy-48-(hydroxymethyl)spiro[9-oxa-51,52,57,58-tetrathia-68-azahexadecacyclo[58.13.2.12,6.110,14.120,54.120,55.121,39.122,53.126,33.132,39.027,31.036,40.036,49.042,47.063,74.067,71]trioctaconta-2,4,6(83),10,12,14(82),18,22(78),37,42,44,46,60(75),61,63(74),67(71),69-heptadecaen-24,64-diyne-28,1'-cyclopentane]-17,72-dione
• 英文别名: 61-(diaminomethyl)-3,11,32,54-tetrahydroxy-48-(hydroxymethyl)spiro[9-oxa-51,52,57,58-tetrathia-68-azahexadecacyclo[58.13.2.12,6.110,14.120,54.120,55.121,39.122,53.126,33.132,39.027,31.036,40.036,49.042,47.063,74.067,71]trioctaconta-2,4,6(83),10,12,14(82),18,22(78),37,42,44,46,60(75),61,63(74),67(71),69-heptadecaen-24,64-diyne-28,1'-cyclopentane]-17,72-dione
• 化学式: C₈₃H₉₁N₃O₈S₄
• 分子量: 1386.9
• InChiKey: SJEGGGIBKYTPBY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.1
• 重原子数：
  98
• 可旋转键数：
  2
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  314
• 氢给体数：
  8
• 氢受体数：
  14