1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-[b-D-glucosyl-(1->4)-b-D-glucosyl-(1->2)-6-acetyl-b-D-glucosyl] ester | 155520-07-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-[b-D-glucosyl-(1->4)-b-D-glucosyl-(1->2)-6-acetyl-b-D-glucosyl] ester
• 英文别名: [6-(acetyloxymethyl)-3-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (Z)-5-hydroxy-6-[1-hydroxy-10,13-dimethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,3-dimethylhept-2-enoate
• CAS: 155520-07-3
• 化学式: C₅₄H₈₆O₂₆
• 分子量: 1151.2
• InChiKey: TWYKVNVZQJGURA-MRCUWXFGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.8
• 重原子数：
  80
• 可旋转键数：
  19
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  421
• 氢给体数：
  15
• 氢受体数：
  26