19870-44-1 (2-(3,4-二羟基-苯基)-5-羟基-7-(O6-β-D-吡喃木糖基-β-D-吡喃葡萄糖基氧基)-chromen-4-on,2-(3,4-Dihydroxy-phenyl)-5-hydroxy-7-(O6-beta-D-xylopyranosyl-beta-D-glucopyranosyloxy)-chromen-4-on)

CAS号:
19870-44-1
中文名称:
2-(3,4-二羟基-苯基)-5-羟基-7-(O6-β-D-吡喃木糖基-β-D-吡喃葡萄糖基氧基)-chromen-4-on
英文名称:
2-(3,4-Dihydroxy-phenyl)-5-hydroxy-7-(O6-beta-D-xylopyranosyl-beta-D-glucopyranosyloxy)-chromen-4-on
分子式:
C26H28O15
分子量:
580.491529464722

2-(3,4-二羟基-苯基)-5-羟基-7-(O6-β-D-吡喃木糖基-β-D-吡喃葡萄糖基氧基)-chromen-4-on(19870-44-1)名称与标识符

名称

英文别名:
2-(3,4-Dihydroxy-phenyl)-5-hydroxy-7-(O6-beta-D-xylopyranosyl-beta-D-glucopyranosyloxy)-chromen-4-on;2-(3,4-dihydroxy-phenyl)-5-hydroxy-7-(O6-beta-D-xylopyranosyl-beta-D-glucopyranosyloxy)-chromen-4-one;cesioside;luteolin 7-O-beta-D-xylosyl(1->6)-beta-D-glucoside;luteolin-7-O-beta-[6-O-beta-xylopyranosylglucopyranoside];2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-(6-O-β-D-xylopyranosyl-β-D-glucopyranosyloxy)-4H-1-benzopyran-4-one;7-(6-O-β-D-Xylopyranosyl-β-D-glucopyranosyloxy)-3',4',5-trihydroxyflavone;3',4',5-Trihydroxy-7-[[6-O-(β-D-xylopyranosyl)-β-D-glucopyranosyl]oxy]flavone;Caesiosid;19870-44-1;2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one;2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyloxy)-4H-1-benzopyran-4-;

标识符

InChIKey:
QOYOSTICCWYNER-AZQDDYIYSA-N
Inchi:
1S/C26H28O15/c27-11-2-1-9(3-12(11)28)16-6-14(30)19-13(29)4-10(5-17(19)40-16)39-26-24(36)22(34)21(33)18(41-26)8-38-25-23(35)20(32)15(31)7-37-25/h1-6,15,18,20-29,31-36H,7-8H2/t15-,18-,20+,21-,22+,23-,24-,25+,26-/m1/s1
SMILES:
O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O)O)OC1=CC(=C2C(C=C(C3C=CC(=C(C=3)O)O)OC2=C1)=O)O

2-(3,4-二羟基-苯基)-5-羟基-7-(O6-β-D-吡喃木糖基-β-D-吡喃葡萄糖基氧基)-chromen-4-on(19870-44-1)物化性质

计算特性

  • 精确分子量 : 580.14282018g/mol
  • 氢键供体数量 : 9
  • 氢键受体数量 : 15
  • 可旋转化学键数量 : 6
  • 同位素质量 : 580.14282018g/mol
  • 重原子数量 : 41
  • 复杂度 : 948
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 9
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : -1.6
  • 拓扑分子极性表面积 : 245Ų