反式-白藜芦醇 4-O-beta-D-葡糖苷酸 | 387372-20-5
反式-白藜芦醇 4-O-beta-D-葡糖苷酸
trans-Resveratrol 4’-O-b-D-Glucuronide
387372-20-5
C20H20O9
404.3674
名称和标识符
InChIKey |
CDEBVTGYVFHDMA-OWOJBTEDSA-N |
Inchi |
InChI=1S/C20H20O9/c21-12-7-11(8-13(22)9-12)2-1-10-3-5-14(6-4-10)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1+ |
SMILES |
C(=C\C1=CC(=CC(=C1)O)O)/C2=CC=C(C=C2)OC3C(C(C(C(C(=O)O)O3)O)O)O |
别名信息
- 中文别名 -
- 反式白藜芦醇4'-O-β-D-葡糖苷酸
- S-比鲁卡胺
- 反式-白藜芦醇 4-O-beta-D-葡糖苷酸
- 英文别名 -
- b-D-Glucopyranosiduronic acid,4-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl
- trans-Resveratrol 4’-O-β-D-Glucuronide
- Resveratrol 4'-O-D-Glucuronide
- TRANS RESVERATROL 4'O-B-D-GLUCURONIDE
- trans-Resveratrol 4’
- trans-Resveratrol 4`-O-Beta-D-Glucuronide
- CHEBI:175992
- (2S,3S,4S,5R,6S)-6-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- AKOS037645302
- (2S,3S,4S,5R,6S)-6-[4-[(E)-2-(3,5-dihydroxyphenyl)vinyl]phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
- (2S,3S,4S,5R,6S)-6-{4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
- AS-6001
- 4-[2-(3,5-Dihydroxyphenyl)ethenyl]phenyl hexopyranosiduronic acid
- trans-Resveratrol-4'-O-D-Glucuronide
- trans-Resveratrol 4'-O-glucuronide
- Resveratrol metabolite 1
- Trans resveratrol 4o-b-D-glucuronide
- resveratrol-4'-O-glucuronide
- .beta.-D-Glucopyranosiduronic acid, 4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl
- trans-Resveratrol 4'-O-?-D-Glucuronide
- DTXSID80693974
- Q27464846
- CHEMBL3526962
- 387372-20-5
- trans-Resveratrol 4'-O--D-glucopyranoside
物化性质
实验特性
LogP |
0.53920 |
PSA |
156.91000 |
折射率 |
1.76 |
沸点 |
750.3±60.0 °C at 760 mmHg |
熔点 |
144-146°C |
蒸气压 |
0.0±2.6 mmHg at 25°C |
闪点 |
268.8±26.4 °C |
溶解度 |
DMSO (Slightly), Methanol (Slightly) |
稳定性 |
Moisture, Temperature Sensitive |
密度 |
1.6±0.1 g/cm3 |
计算特性
精确分子量 |
404.11100 |
氢键供体数量 |
6 |
氢键受体数量 |
9 |
可旋转化学键数量 |
5 |
同位素质量 |
404.11073221g/mol |
重原子数量 |
29 |
复杂度 |
564 |
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 |
1 |
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) |
1.6 |
拓扑分子极性表面积 |
157Ų |
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