AG002IGF

20633-67-4 | 4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-3-(3-hydroxy-4-methoxyphenyl)-

AG002IGF

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CAS Number	20633-67-4
Catalog Number	AG002IGF(AGN-PC-0QVZR4)
Chemical Name	4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-3-(3-hydroxy-4-methoxyphenyl)-
IUPAC Name	3-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
InChI	InChI=1S/C22H22O10/c1-29-15-5-2-10(6-14(15)24)13-9-30-16-7-11(3-4-12(16)18(13)25)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	WACBUPFEGWUGPB-MIUGBVLSSA-N
MDL Number	MFCD08061493
Molecular Formula	C22H22O10
Molecular Weight	446.4041
SMILES	O=C1C(C2=CC=C(OC)C(O)=C2)=COC3=C1C=CC(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=C3
UNII	247AW3A88C
Synonyms	calycosin-7-O-beta-D-glucopyranoside, calycosin-7-O-glucopyranoside, calycosin-7-O-beta-D-glucoside, ononin, Calycosin-7-O-beta-D-glucoside, calycosin-7-O-beta-D-glucopyranoside, 20633-67-4, Calycosin 7-O-glucoside, Calycosin 7-o-beta-D-glucoside, UNII-247AW3A88C, CHEMBL3289608, CHEBI:86512, 247AW3A88C, Calycosin-7-O-|A-D-glucoside, Calycosin 7-O-glucopyranoside, Calycosin 7-beta-D-glucopyranoside, AC1NSWLT, Calycosin-7-o--D-glucoside, 3'-Hydroxy-4'-methoxyisoflavone-7-O-beta-D-glucoside, KS-00001FIR, 7,3'-Dihydroxy-4'-methoxyisoflavone-7-o-beta-D-glucoside, 3',7-Dihydroxy-4'-methoxyisoflavone-7-beta-D-glucopyranoside, Calycosin 7-O-glucopyranoside (constituent of astragalus) [DSC], HY-N0520, BDBM50021397, Isoflavone, 3',7-dihydroxy-4'-methoxy-, 7-beta-D-glucopyranoside, MFCD08061493, ZINC33831794, AKOS015897094, CS-3716, FT-0688328, X1104, I07-364, Q-100930, 3-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranoside, 3-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one, 3-(3-hydroxy-4-methoxyphenyl)-7-(((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)oxy)-4h-chromen-4-one, 3-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one, Calycosin-7-O-AfAE'A centa' notA inverted exclamation markAfasA'A|AfAE'Adaggeratrade markAfA centA centasA notA em leaderA inverted exclamation mark-D-glucoside, calycosin-7-O-glucopyranoside, C22H22O10, ACN-035525, CID5318267, C488311, 4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3-(3-hydroxy-4-methoxyphenyl)-,

Complexity	698
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-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number