786711-07-7 ((Afzelin)

结构式:
CAS号:
786711-07-7
英文名称:
Afzelin
分子式:
C21H20O10
分子量:
432.377507209778

Afzelin(786711-07-7)名称与标识符

名称

英文别名:
KAEMPFEROL 3-.ALPHA.-L-RHAMNOPYRANOSIDE;kaempferol 3-O-rhamnoside;kaempferol 3-O-alpha-L-rhamnopyranoside;afzelin; kaempherol 3-O-alpha-rhamnoside;Afzeloside;KAEMPFEROL 3-(6-DEOXY-L-MANNOPYRANOSIDE);4H-1-BENZOPYRAN-4-ONE, 3-((6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)OXY)-5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-;KAEMPHEROL 3-O-.ALPHA.-L-RHAMNOPYRANOSIDE;C16911;MEGxp0_000339;5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-4-one;KAEMPFEROL-3-.ALPHA.-L-RHAMNOSE;ACon1_000149;KAEMPHEROL 3-O-.ALPHA.-RHAMNOSIDE;Kaempferin;kaempferol-3-rhamnoside;786711-07-7;A854406;Kaempferol rhamnoside;KAEMPFEROL 3-O-.ALPHA.-L-RHAMNOSIDE;482-39-3;Afzelin;3-O-.ALPHA.-L-RHAMNOPYRANOSYLKAEMPFEROL;5M86W1YH7O;CHEBI:80790;kaempferol-3-o-alpha-l-rhamnopyranoside;kaempferol-3-o-beta-rhamnoside;4H-1-Benzopyran-4-one, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-;SCHEMBL1689477;AKOS032962059;MFCD17676152;UNII-5M86W1YH7O;HY-N1441;3-((6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)OXY)-5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE;DTXSID50197459;KAEMPFEROL-3-O-RHAMNOSIDE;Kaempferol 3-O-alpha-L-rhamnoside;5,7-Dihydroxy-2-(4-Hydroxyphenyl)-4-Oxo-4h-Chromen-3-Yl 6-Deoxy-Alpha-L-Mannopyranoside;Q3334749;A13891;5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl alpha-L-rhamnoside;5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)-4H-chromen-4-one;BDBM50213414;Kaempferol 3-rhamnoside;4H-1-Benzopyran-4-one, 3-[(6-deoxy-.alpha.-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-;KAEMPFEROL RHAMNOSIDE [INCI];5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one;CHEMBL240528;KAEMPFEROL 3-O-.ALPHA.-L-RHAMNOPYRANOSIDE;kaempherol 3-O-alpha-rhamnoside;KAEMPFEROL 3-O-RHAMNOPYRANOSIDE;LS-39515;CS-0016878;KAEMPEEROL-3-O-GLUCORHAMNOSIDE;AFE;Afzelin, >=90% (LC/MS-UV);KAEMPFEROL 3-L-RHAMNOSIDE;

标识符

InChIKey:
SOSLMHZOJATCCP-AEIZVZFYSA-N
Inchi:
1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3/t8-,15-,17+,18+,21-/m0/s1
SMILES:
O1[C@H]([C@@H]([C@@H]([C@H]([C@@H]1C)O)O)O)OC1C(C2C(=CC(=CC=2OC=1C1C=CC(=CC=1)O)O)O)=O

Afzelin(786711-07-7)物化性质

计算特性

  • 精确分子量 : 432.10564683g/mol
  • 氢键供体数量 : 6
  • 氢键受体数量 : 10
  • 可旋转化学键数量 : 3
  • 同位素质量 : 432.10564683g/mol
  • 重原子数量 : 31
  • 复杂度 : 702
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 5
  • 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) : 1.2
  • 拓扑分子极性表面积 : 166Ų