I(2)-D-Glucopyranoside, (2S,2a(2)R,3S,3a(2)R)-3a(2)-[3-(I(2)-D-glucopyranosyloxy)-5-hydroxyphenyl]-2,2a(2),3,3a(2)-tetrahydro-6-hydroxy-2,2a(2)-bis(4-hydroxyphenyl)-4-[(1Z)-2-(4-hydroxyphenyl)ethenyl][3,4a(2)-bibenzofuran]-6a(2)-yl | 168010-12-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 2-芳基苯并呋喃类黄酮
• 英文名称: I(2)-D-Glucopyranoside, (2S,2a(2)R,3S,3a(2)R)-3a(2)-[3-(I(2)-D-glucopyranosyloxy)-5-hydroxyphenyl]-2,2a(2),3,3a(2)-tetrahydro-6-hydroxy-2,2a(2)-bis(4-hydroxyphenyl)-4-[(1Z)-2-(4-hydroxyphenyl)ethenyl][3,4a(2)-bibenzofuran]-6a(2)-yl
• 英文别名: 2-[3-hydroxy-5-[4-[6-hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydro-1-benzofuran-3-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• CAS: 168010-12-6
• 化学式: C₅₄H₅₂O₁₉
• 分子量: 1005.0
• InChiKey: VAKPECSFQPSYGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  73
• 可旋转键数：
  12
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  318
• 氢给体数：
  13
• 氢受体数：
  19