33-(Diaminomethyl)-49-(4,5-dihydroxypentyl)-3,11,22-trihydroxy-9-oxa-29,30-dithia-40-azanonacyclo[30.13.2.12,6.110,14.120,25.120,27.022,27.035,46.039,43]henpentaconta-2,4,6(51),10,12,14(50),18,32(47),33,35(46),39(43),41-dodecaen-36-yne-17,44-dione

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 33-(Diaminomethyl)-49-(4,5-dihydroxypentyl)-3,11,22-trihydroxy-9-oxa-29,30-dithia-40-azanonacyclo[30.13.2.12,6.110,14.120,25.120,27.022,27.035,46.039,43]henpentaconta-2,4,6(51),10,12,14(50),18,32(47),33,35(46),39(43),41-dodecaen-36-yne-17,44-dione
• 英文别名: 33-(diaminomethyl)-49-(4,5-dihydroxypentyl)-3,11,22-trihydroxy-9-oxa-29,30-dithia-40-azanonacyclo[30.13.2.12,6.110,14.120,25.120,27.022,27.035,46.039,43]henpentaconta-2,4,6(51),10,12,14(50),18,32(47),33,35(46),39(43),41-dodecaen-36-yne-17,44-dione
• 化学式: C₅₃H₆₁N₃O₈S₂
• 分子量: 932.2
• InChiKey: JZNPJGORXZLNRG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  66
• 可旋转键数：
  6
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  263
• 氢给体数：
  8
• 氢受体数：
  12