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4H-1-苯并吡喃-4-酮,7-[(6-脱氧-a-L-吡喃甘露糖基)氧基]-3-(b-D-吡喃葡萄糖基氧基)-5-羟基-2-(4-羟基苯基)- | 2392-95-2

4H-1-苯并吡喃-4-酮,7-[(6-脱氧-a-L-吡喃甘露糖基)氧基]-3-(b-D-吡喃葡萄糖基氧基)-5-羟基-2-(4-羟基苯基)-结构式图片|2392-95-2结构式图片
4H-1-苯并吡喃-4-酮,7-[(6-脱氧-a-L-吡喃甘露糖基)氧基]-3-(b-D-吡喃葡萄糖基氧基)-5-羟基-2-(4-羟基苯基)-
4H-1-Benzopyran-4-one,7-[(6-deoxy-a-L-mannopyranosyl)oxy]-3-(b-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-
2392-95-2
C27H34O15
598.549870014191
21606527
名称和标识符
InChIKey JZMDHNZJOZUDLG-LCVZKCCFSA-N
Inchi 1S/C27H34O15/c1-10-18(31)20(33)22(35)25(38-10)39-13-6-15(30)14-8-27(37,42-26-23(36)21(34)19(32)17(9-28)41-26)24(40-16(14)7-13)11-2-4-12(29)5-3-11/h2-7,10,17-26,28-37H,8-9H2,1H3/t10-,17+,18+,19-,20+,21-,22+,23+,24-,25?,26-,27?/m0/s1
SMILES O1[C@H](CO)[C@H](O)[C@H](O)[C@@H](O)[C@@H]1OC1(O)CC2=C(O[C@H]1C1=CC=C(O)C=C1)C=C(OC1[C@H](O)[C@H](O)[C@H](O)[C@H](C)O1)C=C2O
别名信息
- 中文别名 -
- 英文别名 -
  • 4H-1-Benzopyran-4-one,7-[(6-deoxy-a-L-mannopyranosyl)oxy]-3-(b-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-
  • Kaempferol 3-O-Glc 7-O-Rha
  • (2S,3R,4S,5R,6R)-2-[3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5S, 6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-chroman-3-yl]oxy-6-(hydrox ymethyl)oxane-3,4,5-triol
  • Kaempferol-3-glucoside-7-rhamnoside
  • 4H-1-Benzopyran-4-one, 7-[(6-deoxy-α-L-mannopyranosyl)oxy]-3-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-
  • AKOS030553662
  • CHEBI:68882
  • A-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-
  • kaempferol-3-O-beta-D-glucopyranoside-7-O-alpha-L-rhamnopyranoside
  • kaempferol 3-O-beta-D-glucopyranosyl-7-O-alpha-L-rhamnopyranoside
  • NS00097623
  • Kaempferol-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside
  • SCHEMBL9993267
  • BDBM50359314
  • kaempferol 3-O-glucoside 7-O-rhamnoside
  • 4H-1-Benzopyran-4-one, 7-[(6-deoxy--L-mannopyranosyl)oxy]-3-(-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-
  • CHEMBL1929193
  • 4H-1-Benzopyran-4-one, 7-[(6-deoxy-
  • Q27137238
  • 7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside
  • DTXSID90946741
  • Kaempferol 3-glucoside 7-rhamnoside
  • A-L-mannopyranosyl)oxy]-3-(
  • Kaempferol 3-O-beta-glucopyranoside-7-O-alpha-rhamnopyranoside
  • 5-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
物化性质
实验特性
沸点 957.5±65.0 °C(Predicted)
熔点 245-247 °C
酸度系数(pKa) 5.81±0.40(Predicted)
密度 1.76±0.1 g/cm3(Predicted)
计算特性
精确分子量 594.15847025g/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 594.15847025g/mol
重原子数量 42
复杂度 985
同位素原子数量 0
确定原子立构中心数量 10
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 245Ų
相关文献
专业数据库参考
PubChemId 21606527
960化工网为您提供4H-1-苯并吡喃-4-酮,7-[(6-脱氧-a-L-吡喃甘露糖基)氧基]-3-(b-D-吡喃葡萄糖基氧基)-5-羟基-2-(4-羟基苯基)-专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:2392-95-2,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等;| WAP 版:2392-95-2
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