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Emodin-8-glucoside

CAT: 0607-N2430-20Size: 20 mgDry Ice: NoHazardous: No
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CAT#:0607-N2430-20Size:20 mg
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CAS Number
23313-21-5
Product Name Alternative
1,6-dihydroxy-3-methyl-8-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
Field of Research
Natural Products
Purity
0.98
Form
A solid
Solubility
≥79.6 mg/mL in DMSO
Smiles
CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)OC4C(C(C(C(O4)CO)O)O)O)O)O
Molecular Formula
C21H20O10
Molecular Weight
432.11
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Emodin-8-glucoside

Emodin 8-glucoside is a dihydroxyanthraquinone.

CAS Number23313-21-5
PubChem CID99649
IUPAC Name1,6-dihydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
Molecular FormulaC21H20O10
Molecular Weight432.4
XLogP0.9
Topological Polar Surface Area174
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity700
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
2D structure of Emodin-8-glucoside
CAS: 23313-21-5
CID: 99649
Formula: C21H20O10
MW: 432.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.4
XLogP30.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass432.10564683
Monoisotopic Mass432.10564683
Topological Polar Surface Area174 Ų
Heavy Atom Count31
Formal Charge0
Complexity700
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A3759-10Retinyl glucoside
N1413-20Calycosin-7-glucoside
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Alternative Products

CatalogName
T3900-01Emodin-8-glucoside
TBZ2287Emodin 8-glucoside
HY-N0311REmodin-8-glucoside (Standard)
A14677-500Emodin-8-glucoside 500mg
A14677-50Emodin-8-glucoside 50mg
A14677-25Emodin-8-glucoside 25mg
A14677-1Emodin-8-glucoside 1mg
sc-479540Aloe Emodin 8-Glucoside
A14677-10Emodin-8-glucoside 10mg
A14677-5Emodin-8-glucoside 5mg

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