642474-47-3 ((Kaempferol-7-rhamnoside)

CAS号:
642474-47-3
英文名称:
Kaempferol-7-rhamnoside
分子式:
C21H20O10
分子量:
432.377507209778

Kaempferol-7-rhamnoside(642474-47-3)名称与标识符

名称

英文别名:
.ALPHA.-RHAMNOISOROBIN;MASSBANK PR100942;MS-27706;SCHEMBL571498;4H-1-BENZOPYRAN-4-ONE, 7-((6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)OXY)-3,5-DIHYDROXY-2-(4-HYDROXYPHENYL)-;MASSBANK PR100941;4H-1-Benzopyran-4-one, 7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-;BDBM50331857;642474-47-3;4H-1-Benzopyran-4-one, 7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-3,5-dihydroxy-2-(4-hydroxyphenyl)-;Kaempferol 7-O-rhamnoside;79YJI9GIF1;KAEMPFEROL 7-O-.ALPHA.-L-RHAMNOPYRANOSIDE;MASSBANK PR101008;UNII-79YJI9GIF1;kaempferol-7-o-rhamnoside;7-(.ALPHA.-L-RHAMNOPYRANOSYLOXY)-3,5-DIHYDROXY-2-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE;KAEMPFEROL 7-.ALPHA.-L-RHAMNOSIDE;E88730;DTXSID60174034;3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one;CHEMBL1289337;J427.598E;KAEMPFEROL-7-O-.ALPHA.-L-RHAMNOSIDE;Kaempferol7-O-rhamnoside;3,4',5-TRIHYDROXY-7-(.ALPHA.-L-RHAMNOPYRANOSYLOXY)FLAVONE;Q27266794;Alpha-Rhamnoisorobin;Kaempferol-7-rhamnoside;HY-N3431;CS-0024215;AKOS032949016;kaempferol-7-o-alpha-l-rhamnoside;KAMPFEROL-7-O-RHAMNOSIDE;3,5-DIHYDROXY-2-(4-HYDROXYPHENYL)-4-OXO-4H-CHROMEN-7-YL 6-DEOXY-.ALPHA.-L-MANNOPYRANOSIDE;20196-89-8;Kaem-7-Rha;

标识符

InChIKey:
HQNOUCSPWAGQND-GKLNBGJFSA-N
Inchi:
1S/C21H20O10/c1-8-15(24)17(26)19(28)21(29-8)30-11-6-12(23)14-13(7-11)31-20(18(27)16(14)25)9-2-4-10(22)5-3-9/h2-8,15,17,19,21-24,26-28H,1H3/t8-,15-,17+,19+,21-/m0/s1
SMILES:
O1[C@H]([C@@H]([C@@H]([C@H]([C@@H]1C)O)O)O)OC1=CC(=C2C(C(=C(C3C=CC(=CC=3)O)OC2=C1)O)=O)O

Kaempferol-7-rhamnoside(642474-47-3)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) : 0.6
  • 拓扑分子极性表面积 : 166Ų