(1R,4S,6R,8S,9R,11R,13R,14S,16R,18S,19R,21R,24R,25S,40R,44S,46R,48S,49S,51R)-8,13,18,44,49-pentakis(hydroxymethyl)-28,28,37,37-tetraoxo-5,7,10,12,15,17,20,27,38,41,42,45,47,50,52,61-hexadecaoxa-28lambda6,37lambda6-dithiaundecacyclo[22.17.11.26,9.211,14.216,19.229,32.233,36.243,46.248,51.121,25.04,40]heptahexaconta-29,31,33,35,57,59-hexaene-2,3,22,23,53,54,55,56,62,63,64,65,66,67-tetradecol

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1R,4S,6R,8S,9R,11R,13R,14S,16R,18S,19R,21R,24R,25S,40R,44S,46R,48S,49S,51R)-8,13,18,44,49-pentakis(hydroxymethyl)-28,28,37,37-tetraoxo-5,7,10,12,15,17,20,27,38,41,42,45,47,50,52,61-hexadecaoxa-28lambda6,37lambda6-dithiaundecacyclo[22.17.11.26,9.211,14.216,19.229,32.233,36.243,46.248,51.121,25.04,40]heptahexaconta-29,31,33,35,57,59-hexaene-2,3,22,23,53,54,55,56,62,63,64,65,66,67-tetradecol
• 英文别名: (1R,4S,6R,8S,9R,11R,13R,14S,16R,18S,19R,21R,24R,25S,40R,44S,46R,48S,49S,51R)-8,13,18,44,49-pentakis(hydroxymethyl)-28,28,37,37-tetraoxo-5,7,10,12,15,17,20,27,38,41,42,45,47,50,52,61-hexadecaoxa-28λ6,37λ6-dithiaundecacyclo[22.17.11.26,9.211,14.216,19.229,32.233,36.243,46.248,51.121,25.04,40]heptahexaconta-29,31,33,35,57,59-hexaene-2,3,22,23,53,54,55,56,62,63,64,65,66,67-tetradecol
• 化学式: C₅₄H₇₆O₃₉S₂
• 分子量: 1413.3
• InChiKey: DTERAHOZRPDYOK-QWGQIYNZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -12
• 重原子数：
  95
• 可旋转键数：
  5
• 环数：
  29.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  617
• 氢给体数：
  19
• 氢受体数：
  39