20633-84-5 (忍冬苷,Luteolin-7-rutinoside)

结构式:
CAS号:
20633-84-5
中文名称:
忍冬苷
英文名称:
Luteolin-7-rutinoside
分子式:
C27H30O15
分子量:
594.518109798431
简介:
忍冬苷 ,植物来源:忍冬科植物忍冬Lonicera japonicaThunb.的干燥叶
植物源:

忍冬苷(20633-84-5)名称与标识符

名称

中文别名:
忍冬苷;
英文别名:
luteolin 7-O-(6''-O-alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside;luteolin 7-O-alpha-L-rhamnopyranosyl(1->6)-beta-D-glucopyranoside;luteolin 7-O-rutinoside;luteolin 7-rutinoside;luteolin-7-O-;luteolin-7-O-[alpha-L-rhamnopyranosyl(1->6)]-beta-D-glucopyranoside;luteolin-7-O-rutinoside;luteolin-7-rutinoside;Luteolin-7-O-rhamnoside;Luteoline-7-rhamnoglucoside;Scolymoside;BDBM94850;2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl)oxan-2-yl)oxychromen-4-one;20633-84-5;EX-A6772;SMR001397309;HMS2205K19;4H-1-BENZOPYRAN-4-ONE, 7-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-2-(3,4-DIHYDROXYPHENYL)-5-HYDROXY-;LUTEOLIN 7-O-.ALPHA.-L-RHAMNOPYRANOSYL-(1->6)-.BETA.-D-GLUCOPYRANOSIDE;Luteolin 7-o-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside;MS-30557;AKOS040733634;2-[3,4-bis(oxidanyl)phenyl]-7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one;Luteolin 7-rutinoside, >=95% (LC/MS-ELSD);LDM9NL7QUS;DTXSID201313731;HY-N6647;7-Rutinosylluteolin;luteolin-7-O-beta-rutinoside;2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one;4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5-hydroxy-;SR-01000870981;SR-01000870981-2;LUTEOLIN-7-O-.BETA.-D-RUTINOSIDE;Scolimoside;CHEMBL1714943;UNII-LDM9NL7QUS;2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one;Skolimoside;cid_10461109;CS-0066966;MLS002473221;SCHEMBL23870123;2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromone;LONICERIN;G60943;DA-75164;FL158250;

标识符

MDL:
MFCD03792755
InChIKey:
MGYBYJXAXUBTQF-FOBVWLSUSA-N
Inchi:
1S/C27H30O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-7,9,18,20-30,32-37H,8H2,1H3/t9-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1
SMILES:
O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO[C@H]1[C@@H]([C@@H]([C@H]([C@H](C)O1)O)O)O)O)O)O)OC1=CC(=C2C(C=C(C3C=CC(=C(C=3)O)O)OC2=C1)=O)O

忍冬苷(20633-84-5)物化性质

实验特性

  • 沸点 : 954.0±65.0 °C at 760 mmHg
  • 熔点 : No data available
  • 蒸气压 : 0.0±0.3 mmHg at 25°C
  • 闪点 : 316.9±27.8 °C
  • 颜色与性状 : Powder
  • 密度 : 1.8±0.1 g/cm3

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 : 979
  • 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) : -1.1
  • 拓扑分子极性表面积 : 245Ų

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