AG00D8RI

5041-82-7 | ISORHAMNETIN-3-GLUCOSIDE

AG00D8RI

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CAS Number	5041-82-7
Catalog Number	AG00D8RI(AGN-PC-0S8BED)
Chemical Name	ISORHAMNETIN-3-GLUCOSIDE
IUPAC Name	5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
InChI	InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1
InChI Key	CQLRUIIRRZYHHS-LFXZADKFSA-N
MDL Number	MFCD00017689
Molecular Formula	C22H22O12
Molecular Weight	478.4029
SMILES	OC1=C2C(C(=C(OC2=CC(=C1)O)C1=CC(=C(C=C1)O)OC)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)=O
UNII	BI252A6EPL
Synonyms	isorhamnetin 3-O-beta-D-glucopyranoside, isorhamnetin 3-O-glucoside, isorhamnetin-3-Glu, isorhamnetin-3-O-glucoside, 5041-82-7, isorhamnetin 3-O-glucoside, UNII-BI252A6EPL, isorhamnetin 3-O-beta-D-glucopyranoside, BI252A6EPL, Isorhamnetin 3-glucoside, CHEMBL234316, CHEBI:75750, Isorhamnetin-3-O-?-D-Glucoside, Isorhamnetin 3-O-beta-D-glucoside, AC1NSX4O, Isorhamnetin-3-Oglucoside, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-, SCHEMBL2025447, CQLRUIIRRZYHHS-LFXZADKFSA-N, Isorhamnetin-3-O-beta-D-Glucosid, Isorhamnetin-3-O-|A-D-Glucoside, HY-N0777, ZINC4349394, 8156AH, BDBM50379283, MFCD00017689, AKOS032948993, CCG-208394, CS-5409, Isorhamnetin-3-O-beta-D-glucopyranoside, NCGC00163573-01, 4CN-2917, AB0110057, ISORHAMNETIN-3-O-| cent-D-GLUCOSIDE, FT-0635519, ISORHAMNETIN-3-O-?-D-GLUCOPYRANOSIDE, 041I827, C-57843, SR-05000002275, SR-05000002275-2, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside, 4H-1-Benzopyran-4-one, 3-(.beta.-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-, 4H-1-Benzopyran-4-one,3-(b-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-4H-chromen-4-one, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one, 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl .beta.-D-glucopyranoside, isorhamnetin-3-Glu, isorhamnetin-3-glucoside, Isorhamnetin-3-O-beta-D-Glucoside, C22H22O12, Isorhamnetin-3-mono-beta-D-glucoside, ACN-047537, CID5318645, C432511, Isorhamnetin-3-glucoside, 98%, from Typha angustifolia L. - 5MG 5mg,

Complexity	773
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	478.111g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	7
Isotope Atom Count	0
Molecular Weight	478.406g/mol
Monoisotopic Mass	478.111g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	196A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number