AG00I7WA

40246-10-4 | 4H-1-Benzopyran-4-one,7-(b-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-6-methoxy-

AG00I7WA

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CAS Number	40246-10-4
Catalog Number	AG00I7WA(AGN-PC-0RMEE6)
Chemical Name	4H-1-Benzopyran-4-one,7-(b-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-6-methoxy-
IUPAC Name	3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
InChI	InChI=1S/C22H22O10/c1-29-15-6-12-14(30-9-13(18(12)25)10-2-4-11(24)5-3-10)7-16(15)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1
InChI Key	OZBAVEKZGSOMOJ-MIUGBVLSSA-N
MDL Number	MFCD00800711
Molecular Formula	C22H22O10
Molecular Weight	446.4041
SMILES	O=c1c2c(cc(c(c2)OC)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)occ1c1ccc(cc1)O
UNII	G2S44P62XC
Synonyms	glycitein 7-O-glucoside, glycitin, Glycitin, 40246-10-4, Glycitein 7-O-glucoside, UNII-G2S44P62XC, Glycitein 7-O-beta-glucoside, Glycitein 7-O-|A-glucoside, Glycitein-7-|A-O-glucoside, G2S44P62XC, OZBAVEKZGSOMOJ-MIUGBVLSSA-N, 4',7-dihydroxy-6-methoxyisoflavone-7-d-glucoside, 3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one, 3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside, Glycitein-7-beta-O-glucoside, AC1L4LKN, AC1Q6OI3, 4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-6-methoxy-, SCHEMBL62443, BIDD:ER0468, CHEBI:80373, CTK8G0084, DTXSID80193227, ZX-AFC000687, HY-N0012, ZINC4349794, CG0043, MFCD00800711, AKOS015892761, AC-6047, SC-19557, AB0029030, FT-0630609, N1815, X1157, A12065, C16195, 246G104, UNII-71B37NR06D component OZBAVEKZGSOMOJ-MIUGBVLSSA-N, Glycitin, United States Pharmacopeia (USP) Reference Standard, 3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl .beta.-D-glucopyranoside, 7-(|A-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one, 3-(4-hydroxyphenyl)-6-methoxy-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-4H-chromen-4-one, AR-1F8823, C22H22O10, CID187808, ACN-035436, CS-4239, C433283, Glycitin, 98%, from Glycinemax (L.) merr. - 25MG 25mg, 4H-1-Benzopyran-4-one, 7-(.beta.-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-6-methoxy-, 53179-04-7,

Complexity	690
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	446.121g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	446.408g/mol
Monoisotopic Mass	446.121g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	155A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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