AG002MV4

23313-21-5 | 9,10-Anthracenedione, 1-(β-D-glucopyranosyloxy)-3,8-dihydroxy-6-methyl-

AG002MV4

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CAS Number	23313-21-5
Catalog Number	AG002MV4(AGN-PC-0QZO4Y)
Chemical Name	9,10-Anthracenedione, 1-(β-D-glucopyranosyloxy)-3,8-dihydroxy-6-methyl-
IUPAC Name	1,6-dihydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
InChI	InChI=1S/C21H20O10/c1-7-2-9-14(11(24)3-7)18(27)15-10(16(9)25)4-8(23)5-12(15)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3/t13-,17-,19+,20-,21-/m1/s1
InChI Key	HSWIRQIYASIOBE-JNHRPPPUSA-N
MDL Number	MFCD00047146
Molecular Formula	C21H20O10
Molecular Weight	432.3775
SMILES	O=C1C2=C(C=C(C)C=C2O)C(C3=CC(O)=CC(O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](CO)O4)O)O)O)=C13)=O
UNII	YY0Q8Q1T3H
Synonyms	anthraglycoside B, Emodin-8-glucoside, Emodin 8-glucoside, Emodin glucoside B, 23313-21-5, Anthraglycoside B, UNII-YY0Q8Q1T3H, fucosyltransferase V, Emodin-1 (8)-monoglucoside, Emodin-8-O-beta-D-glucopyranoside, NSC 257449, YY0Q8Q1T3H, CHEBI:4783, CHEMBL464360, 9,10-Anthracenedione, 1-(beta-D-glucopyranosyloxy)-3,8-dihydroxy-6-methyl-, 3,8-Dihydroxy-6-methyl-1-anthraquinonyl-beta-D-glucopyranoside, Glucofrangulin, Glucopyranoside, 3,8-dihydroxy-6-methyl-1-anthraquinonyl-, beta-D-, Emodin 8-beta-D-glucoside, EMODIN 1-GLUCOSIDE, AC1Q6NG7, AC1L411L, SCHEMBL4740021, 1,6-dihydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione, ZINC4098672, 8055AH, BDBM50366683, LMPK13040009, MFCD01725365, MCULE-8886099883, 3,8-dihydroxy-6-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl |A-d-glucopyranoside, LS-71508, Emodin 8-glucoside, >=95% (LC/MS-UV), N2430, C10345, Glucopyranoside, 3,8-dihydroxy-6-methyl-1-anthraquinonyl, ..-D-, 1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-9,10-anthraquinone, 9,10-Anthracenedione,1-(b-D-glucopyranosyloxy)-3,8-dihydroxy-6-methyl-, 9,10-Anthracenedione, 1-(beta-D-glucopyranosyloxy)-3,8-dihydroxy-6-methyl- (9CI), 1,6-dihydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-anthracene-9,10-dione, 52731-38-1, emodin 8-O-glucoside, Emodin-8-beta-D-glucoside, UNII-G2P5Y13SEK, G2P5Y13SEK, CID99649, AR-1F0271, C21H20O10, ACN-047263, C21-H20-O10, 9,10-Anthracenedione, 1-(.beta.-D-glucopyranosyloxy)-3,8-dihydroxy-6-methyl-, 38840-23-2, 53878-12-9,

Complexity	700
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	3
Topological Polar Surface Area	174A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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

Lot Number