83133-14-6 (袁华宁,Yuanhuanin)

结构式:
CAS号:
83133-14-6
中文名称:
袁华宁
英文名称:
Yuanhuanin
分子式:
C22H22O11
分子量:
462.403487682343

袁华宁(83133-14-6)名称与标识符

名称

英文别名:
2-(3,4-dihydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-5-yl beta-D-glucopyranoside;4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-(.beta.-D-glucopyranosyloxy)-7-methoxy-;Yuanhuanin;3'-Hydroxygenkwanin 5-O-beta-glucoside;2-(3,4-dihydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;Luteolin 7-methyl ether 5-O-beta-glucoside;2-(3,4-Dihydroxyphenyl)-7-methoxy-4-oxo-4H-1-benzopyran-5-yl hexopyranoside;2-(3,4-dihydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropy;2-(3,4-Dihydroxyphenyl)-5-(β-D-glucopyranosyloxy)-7-methoxy-4H-1-benzopyran-4-one (ACI);3′-Hydroxygenkwanin 5-O-β-D-glucoside;

标识符

InChIKey:
ZXVSQQSRCKKYLS-MIUGBVLSSA-N
Inchi:
1S/C22H22O11/c1-30-10-5-15-18(13(26)7-14(31-15)9-2-3-11(24)12(25)4-9)16(6-10)32-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1
SMILES:
O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C1=CC(OC)=CC2OC(C3C=CC(O)=C(O)C=3)=CC(C1=2)=O

袁华宁(83133-14-6)物化性质

计算特性

  • 氢键供体数量 : 6
  • 氢键受体数量 : 11
  • 可旋转化学键数量 : 5
  • 重原子数量 : 33
  • 复杂度 : 729
  • 疏水参数计算参考值(XlogP) : 0.3
  • 拓扑分子极性表面积 : 175