Emodin-8-Beta-D-Glucoside

CAT: 0127-OR1022946-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1022946-01Size:100 mg

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CAS Number

23313-21-5

Synonyms

1,6-dihydroxy-3-methyl-8-[ (2S,3R,4S,5S,6R) -3,4,5-trihydroxy-6- (hydroxymethyl) oxan-2-yl]oxyanthracene-9,10-dione

Purity

98%

Smiles

CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O

Chemical Information

Emodin-8-glucoside

Emodin 8-glucoside is a dihydroxyanthraquinone.

CAS Number	23313-21-5
PubChem CID	99649
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
Molecular Formula	C21H20O10
Molecular Weight	432.4
XLogP	0.9
Topological Polar Surface Area	174
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	3
Heavy Atom Count	31
Formal Charge	0
Complexity	700

SMILES

CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O

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

InChIKey

HSWIRQIYASIOBE-JNHRPPPUSA-N

Chemical Structure

2D Structure

CAS: 23313-21-5

CID: 99649

Formula: C21H20O10

MW: 432.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	432.4
XLogP3	0.9
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	3
Exact Mass	432.10564683
Monoisotopic Mass	432.10564683
Topological Polar Surface Area	174 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	700
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
BUP07503-01	Emodin-8-glucoside
BUP00356-01	Emodin 6-O-ß-D-glucoside
BUP01107-01	Aloe-emodin-8-O-ß-D-glucopyranoside
BUP21357-01	Physion 8-O-Î²-D-glucoside
BUP02966-01	Nortrachelogenin-8'-O-beta-glucoside
BUP00854-01	Torachrysone-8-O-b-D-glucoside
BUP08258-01	Emodin-1-O-ß-D-glucopyranoside
BI12137-01	Emodin
BUP14646-01	Emodin
BUP03021-01	Rhein 8-Glucoside

Alternative Products

Catalog	Name
TRC-E523010-10MG	Emodin 8-Beta-D-Glucoside
AR-E09682-01	Emodin-8-beta-D-glucoside
300218	Emodin-8-glucoside (Emodin-8-O-β-D-glucopyranoside)
TRC-E523015-10MG	Emodin 1-Beta-D-Glucoside
AR-E01237-01	Emodin-1-Beta-D-Glucoside
N2430-20	Emodin-8-glucoside
TBZ2287	Emodin 8-glucoside

Emodin-8-Beta-D-Glucoside

Chemical Information

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