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| CAS Number | 482-35-9 |
| Catalog Number | AG0035K3(AGN-PC-0RYY9L) |
| Chemical Name | 3-β-D-Glucosylquercetin |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| InChI | InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1 |
| InChI Key | OVSQVDMCBVZWGM-QSOFNFLRSA-N |
| MDL Number | MFCD00017746 |
| Molecular Formula | C21H20O12 |
| Molecular Weight | 464.3763 |
| SMILES | O=C1C(O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)=C(C3=CC=C(O)C(O)=C3)OC4=CC(O)=CC(O)=C14 |
| UNII | 6HN2PC637T |
| Synonyms | 2-(3,4-dihydroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one,
4H-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy,
flavone, 3,3',4',5,7-pentahydroxy-, 3-beta-D-glucofuranoside,
isoquercetin,
isoquercitin,
isoquercitrin,
isoquercitroside,
isotrifoliin,
quercetin 3-(beta-D-glucofuranoside),
quercetin 3-O-beta-D-glucofuranoside,
quercetin-3-glucoside,
quercetin-3-O-beta-glucoside,
quercetin-3-O-glucoside,
trifoliin,
trifoliin A,
Isoquercitrin,
Isoquercetin,
482-35-9,
Hirsutrin,
3-Glucosylquercetin,
Isotrifoliin,
Glucosyl 3-quercetin,
Quercetin 3-glucoside,
Quercetol 3-glucoside,
Quercetin 3-o-glucopyranoside,
Quercetin 3-D-glucoside,
Quercetin 3-monoglucoside,
Quercetol 3-monoglucoside,
Quercetin 3-beta-glucoside,
quercetin-3-glucoside,
Quercetin 3-O-glucoside,
Quercetin 3-beta-O-glucoside,
Quercetin-3-O-glucopyranoside,
quercetin-3-O-glucoside,
UNII-6HN2PC637T,
3-beta-D-Glucosylquercetin,
NSC 115918,
BRN 0100989,
6HN2PC637T,
CHEMBL250450,
CHEBI:68352,
MFCD00017746,
quercetin 3-O-beta-D-glucopyranoside,
NSC-407304,
Q 5,
Quercetin 3-beta-D-glucoside,
3,3',4',5,7-Pentahydroxyflavone 3-beta-glucoside,
CONTIGOSIDE B,
2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one,
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside,
4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-,
Quercetin-3-galactoside,
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one,
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-4H-chromen-4-one,
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one,
SMR000466391,
hydroside,
CCRIS 9340,
Isoquercitrin (6),
ACACIA,
AC1NQXMB,
3-glucoside isoquercitrin,
Quercetin 3--D-glucoside,
Quercetin 3-b-D-glucoside,
Quercetin 3-glucopyranoside,
Quercetin 3-ss-D-glucoside,
Quercetin 3-|A-D-glucoside,
4-18-00-03493 (Beilstein Handbook Reference),
MLS000759532,
MLS001424096,
SCHEMBL181306,
BIDF1022,
ACon1_002134,
cid_5280804,
cid_5378597,
OVSQVDMCBVZWGM-QSOFNFLRSA-N,
quercetin 3-O--D-glucofuranoside,
ZX-AFC000122,
BDBM153265,
HMS2051B17,
quercetin-3-o-beta-glucopyranoside,
ZINC4096845,
BDBM50241354,
PDSP1_001363,
PDSP2_001347,
AKOS015896729,
Quercetin - 3 - O - glucopyranoside,
API0004007,
CCG-100967,
DB12665,
MCULE-2852848721,
NC00217,
Quercetin-3-O-beta-D-galactopyranoside,
Quercetin 3-O-.beta.-D-glucopyranoside,
quercetin -3-O-beta-D-galactopyranoside,
AS-35335,
CPD000466391,
LS-39589,
SAM001246767,
Quercetin 3-glucoside, analytical standard,
FT-0686644,
V0296,
C05623,
AB00639942-06,
Quercetin 3-beta-D-glucoside, >=90% (HPLC),
3,3',4',5,7-Pentahydroxyflavone 3-A-glucoside,
3-Glucopyranosyloxy-3',4',5,7-tetrahydroxyflavone,
I07-0180,
Q-100268,
BRD-K73991644-001-01-7,
3,3'',4'',5,7-pentahydroxyflavone-3-beta-O-glucoside,
Isoquercitrin, primary pharmaceutical reference standard,
2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one,
2-Hydroxy-4-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl b-D-glucopyranoside,
4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3-(b-D-glucopyranosyloxy)-5,7-dihydroxy-,
2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-chromen-4-one,
2-(3,4-Dihydroxyphenyl)-3-(b-D-glucopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, 9CI,
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yloxy)-4H-chromen-4-one,
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yloxy)-4H-chromen-4-one,
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one,
3,3 inverted exclamation marka,4 inverted exclamation marka,5,7-Pentahydroxyflavone 3-|A-glucoside,
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxy-phenyl)-3-(.beta.-D-glucofuranosyloxy)-5,7-dihydroxy-,
4H-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-,
Hyperoside,
Isoquercitroside,
isoquercitin,
trifoliin,
Isoquercetrin,
Hyperin,
trifoliin A,
quercetin 3-O-galactoside,
D04PBH,
quercetin-3-O-beta-glucoside,
quercetin 3-O-beta-D-glucoside,
C21H20O12,
21637-25-2,
quercetin 3-O-beta-D-glucofuranoside,
quercetin 3-(beta-D-glucofuranoside),
ACN-035731,
CID5280804,
Quercetin 3-O-beta-D-galactopyranoside,
C21-H20-O12,
C016527,
Isoquercitrin, 98%, from Gossypium herbaceum L. - 10MG 10mg,
2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one,
Flavone, 3,3',4',5,7-pentahydroxy-, 3-beta-D-glucofuranoside,
* 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl ss-D-glucopyranoside,
4H-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy,
|
| Complexity | 758 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 464.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 8 |
| Isotope Atom Count | 0 |
| Molecular Weight | 464.379g/mol |
| Monoisotopic Mass | 464.095g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 207A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H302-H315-H319-H335 |
| Packing Group | |
| Precautionary statements | P261-P301+P312-P302+P352-P304+P340-P305+P351+P338 |
| UN Code |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
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