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1,3, 6-三-O-没食子酰葡萄糖 | 18483-17-5

1,3, 6-三-O-没食子酰葡萄糖结构式图片|18483-17-5结构式图片
1,3, 6-三-O-没食子酰葡萄糖
1,3,6-tri-O-galloyl-beta-D-glucose
18483-17-5
C27H24O18
636.4687
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:1,3, 6-三-O-没食子酰葡萄糖结构式
452707
简介
1,3,6-Tri-O-galloyl-beta-D-glucose (1,3,6-Tri-O-galloyl-β-D-glucose) 是可以从黑胡桃仁中分离出的一种酚类化合物。
名称和标识符
MDL MFCD06656305
InChIKey RNKMOGIPOMVCHO-SJMVAQJGSA-N
Inchi 1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)23(44-25(40)9-3-13(30)19(35)14(31)4-9)22(38)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22-,23+,27+/m1/s1
SMILES O1[C@]([H])([C@@]([H])([C@]([H])([C@@]([H])([C@@]1([H])C([H])([H])OC(C1C([H])=C(C(=C(C=1[H])O[H])O[H])O[H])=O)O[H])OC(C1C([H])=C(C(=C(C=1[H])O[H])O[H])O[H])=O)O[H])OC(C1C([H])=C(C(=C(C=1[H])O[H])O[H])O[H])=O
别名信息
- 中文别名 -
  • 1,3,6-三-O-没食子酰葡萄糖
  • 1,3,6-三-O-没食子酰基-β-D-葡萄糖
  • 1,3,6-三-o-3,4,5-三羟苯甲酰-b-d-葡萄糖
  • 1,3,6-三-O-3,4,5-三羟基苯甲酰-BETA-D-葡萄糖
  • 1,3,6-三加兰酰β-D-葡萄糖
  • 1,3,6-三没食子酰葡萄糖
  • 炭氢化合物
  • 1,3, 6-三-O-没食子酰基-B-D-葡萄糖
  • 1,3, 6-三-O-没食子酰葡萄糖
  • 1,3,6-三-O-3,4,5-三羟基苯甲酰-beta-D-葡萄糖
  • 1,3,6-三-O-没食子酰基-Β-D-葡萄糖
- 英文别名 -
  • b-D-Glucopyranose,1,3,6-tris(3,4,5-trihydroxybenzoate)
  • [(2R,3R,4S,5R,6S)-3,5-dihydroxy-4,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
  • 1,3,6-Tri-O-galloyl-β-D-glucose
  • GALLOYL-B-D-GLUCOSE, 1,3,6-TRI-O-(AS)
  • GALLOYL-B-D-GLUCOSE, 1,3,6-TRI-O-(SH)
  • 1,3,6,-trigalloyl glucose
  • 1,3,6-Tri-O-galloyl-b-D-glucopyranose
  • 1,3,6-Tri-O-galloyl-b-D-glucose
  • 1,3,6-tri-O-galloyl-D-glucose
  • 1,3,6-Tri-O-galloyl-β-D-glucopyranose
  • 1,3,6-Tri-O-galloyl-beta-D-glucose
  • NSC 69861
  • beta-D-Glucopyranose 1,3,6-trigallate
  • NP 005114
  • Tannic acid (Corilagin)
  • 1,3,6-Tri-O-galloyl glucose
  • 1,3,6-Trigalloyl -β-D-glucose
  • β-D-Glucopyranose 1,3,6-trigallate
  • O8718334XJ
  • Gallotannins
  • 1,3,6-tri-o-galloylglucose
  • .Tannin
  • 1,3,6-tri-o-galloyl-beta-d-glucopyranose
  • Glucopyranose, 1,3,6-trigallate, beta-D-
  • MEGxp0_001387
  • beta-D-Glucopyranose,
  • beta-D-Glucopyranose, 1,3,6-tris(3,4,5-trihydroxybenzoate)
  • 1,3,6-tris(3,4,5-trihydroxybenzoate)beta-D-glucopyranose
  • UNII-O8718334XJ
  • 1,3,6-TRI-O-GALLOYL-.BETA.-D-GLUCOPYRANOSE
  • 1,3,6-Tri-O-galloyl-beta-D-glucose, analytical standard
  • 1,3,6-Tri-O-galloyl--D-glucose
  • .beta.-D-Glucopyranose, 1,3,6-tris(3,4,5-trihydroxybenzoate)
  • NSC-69861
  • E87143
  • J303.464J
  • (2S,3R,4S,5R,6R)-3,5-Dihydroxy-6-(((3,4,5-trihydroxybenzoyl)oxy)methyl)tetrahydro-2H-pyran-2,4-diyl bis(3,4,5-trihydroxybenzoate)
  • MFCD06656305
  • CS-0032136
  • SCHEMBL1004538
  • DTXSID3041667
  • CHEBI:24182
  • HY-N6006
  • CHEMBL389895
  • NCGC00179867-02
  • 1,3,6-Tri-O-galloyl- beta -D-glucose
  • 18483-17-5
  • NCGC00179867-01
  • 1,3,6-Trigalloyl glucose
  • AKOS015965331
  • 1,3,6-Trigalloylglucose
  • C17458
  • 1,3,6-tri-O-galloyl-beta-D-glucose
  • AC-20241
  • Glucopyranose, 1,3,6-trigallate, .beta.-D-
  • MS-30889
  • beta-D-Glucopyranose-1,3,6-tris(3,4,5-trihydroxybenzoate
  • 1ST166440
  • .beta.-D-Glucopyranose 1,3,6-trigallate
  • [(2R,3R,4S,5R,6S)-3,5-dihydroxy-4,6-bis[(3,4,5-trihydroxybenzoyl)oxy]tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate
  • ACon1_002062
  • Q13423012
  • 1,3,6-Trigalloylglucose, >=95% (LC/MS-ELSD)
  • W-201661
  • 1,3,6-TRI-O-GALLOYL-B-D-GLUCOSE
  • DTXSID20860224
  • SCHEMBL19619865
  • SCHEMBL15302682
  • 1,3,6-tris-o-(3,4,5-trihydroxybenzoyl)hexopyranose
  • NS00125054
  • GLUCOPYRANOSE,3,6-TRIGALLATE
  • NSC69861
  • 1,3,6-Trigalloylglucose
  • 1,3,6-Tri-O-galloyl-beta-D-glucopyranose
  • CHEMBL5193262
  • [3,5-dihydroxy-4,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
  • 1,3,6-Trigalloyl-?-D-glucose (TGG)
物化性质
实验特性
LogP -0.27690
PSA 310.66000
沸点 1103.6±65.0 °C at 760 mmHg
熔点 167 ºC
蒸气压 0.0±0.3 mmHg at 25°C
闪点 363.0±27.8 °C
颜色与性状 Powder
密度 1.98
计算特性
精确分子量 636.09600
氢键供体数量 11
氢键受体数量 18
可旋转化学键数量 10
同位素质量 636.09626391 g/mol
重原子数量 45
复杂度 1010
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) 0.4
拓扑分子极性表面积 311
分子量 636.5
国际标准相关数据
EINECS
相关文献
专业数据库参考
PubChemId 452707
参考资料
Reaxys RN
化合物详情(旧版)
 
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