AG003NX7

578-74-5 | 5-Hydroxy-2-(4-Hydroxyphenyl)-7-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl)Oxy)-4H-Chromen-4-One

AG003NX7

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CAS Number	578-74-5
Catalog Number	AG003NX7(AGN-PC-0SOJ4B)
Chemical Name	5-Hydroxy-2-(4-Hydroxyphenyl)-7-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl)Oxy)-4H-Chromen-4-One
EC Number	209-430-5
IUPAC Name	5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
InChI	InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1
InChI Key	KMOUJOKENFFTPU-QNDFHXLGSA-N
MDL Number	MFCD00016787
Molecular Formula	C21H20O10
Molecular Weight	432.3775
SMILES	O=C1C=C(C2=CC=C(O)C=C2)OC3=CC(O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](CO)O4)O)O)O)=CC(O)=C13
UNII	7OF2S66PCH
Synonyms	apigenin 7-O-beta-glucoside, apigenin-7-D-glucoside, apigenin-7-glucoside, apigenin-7-O-beta-D-glucopyranoside, apigetrin, cosmetin, cosmosiin, 578-74-5, Apigenin 7-glucoside, Apigetrin, COSMOSIIN, Cosmosiine, Cosmosioside, APIGENIN-7-GLUCOSIDE, Cosmetin, Apigenin 7-O-beta-D-glucoside, Apigenin-7-O-glucoside, Apigenin 7-beta-D-glucoside, Apigenin 7-b-D-glucoside, Apigenin 7-O-glucoside, CHEBI:16778, 7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone, NSC-407303, UNII-7OF2S66PCH, Thalictiin, 5-Hydroxy-2-(4-hydroxyphenyl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one, Apigenin 7-O-beta-D-glucopyranoside, 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside, 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one, 7OF2S66PCH, apigenin 7-O-beta-glucoside, Cosmociin, Apigenin-7-O-|A-D-glucopyranoside, MFCD00016787, 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, apigenin7-glucoside, AK-29429, AC1NQXGE, Spectrum_000176, SpecPlus_000927, Spectrum2_001752, Spectrum3_001249, Spectrum4_001741, Spectrum5_000562, apigenin 7-O--D-glucoside, 7-O-beta-D-Glucosylapigenin, BSPBio_002758, KBioGR_002182, KBioSS_000656, SPECTRUM211950, Tricin-7-o-|?-D-glucoside, DivK1c_007023, SCHEMBL146404, 7-O-beta-D-glucosyl-apigenin, SPBio_001884, Apigenin 7-beta-glucopyranoside, CHEMBL487017, MEGxp0_001431, KBio1_001967, KBio2_000656, KBio2_003224, KBio2_005792, KBio3_002258, KS-00001FIM, Apigenin 7-O-beta-glucopyranoside, 7-O-beta-D-Glucopyranosylapigenin, HMS1923E03, HY-N0578, ZINC3983877, BDBM50378582, CCG-38803, AKOS025117305, API0001521, Apigenin-7-O-.beta.-D-glucopyranoside, CS-5931, MCULE-8522272831, APIGENIN-7-O-| cent-D-GLUCOSIDE, NCGC00178486-01, AJ-47588, AN-46047, Apigenin 7-glucoside, analytical standard, SC-66280, ST2406632, FT-0622446, N2287, W1637, 4',5,7-Trihydroxyflavone 7-beta-D-glucoside, C04608, 578A745, C-57507, 4H-1-Benzopyran-4-one, 7-(.beta.-D-glucopyranosylo, BRD-K13642330-001-01-8, Apigenin 7-glucoside, primary pharmaceutical reference standard, Apigenin 7-glucoside, EuropePharmacopoeia (EP) Reference Standard, Apigenin 7-glucoside, United States Pharmacopeia (USP) Reference Standard, 4H-1-Benzopyran-4-one,7-(b-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-, 4H-1-Benzopyran-4-one, 7-(.beta.-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-, Apigenin 7-O-glucoside, 5-hydroxy-2-(4-hydroxyphenyl)-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-4H-chromen-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one, Cosmosin, Cosemetin, Cosmoside, Sinigrin, Apigenin-7-d-glucoside, Apigenin 7--D-glucoside, 7-O-(beta-D-Glucosyl)apigenin, C21H20O10, Apigenin, 7-beta-D-glucopyranoside, apigenin-7-O-beta-D-glucopyranoside, EINECS 209-430-5, NSC407303, ACN-046929, CID5280704, NSC 407303, APIGENIN, 7-B-D-GLYCOPYRANOSIDE, C21-H20-O10, C057792, 4H-1-Benzopyran-4-one, 7-(b-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-, Apigenin 7-glucoside, 98%, from Dendranthema indicum (L.) Des Moul. - 25MG 25mg, 32769-01-0,

Complexity	675
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	432.106g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	432.381g/mol
Monoisotopic Mass	432.106g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	166A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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