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Aurantio-obtusin β-D-glucoside

CAT: 1410-M29094-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M29094-01Size:5 mg
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Description
Aurantio-obtusin β-D-glucoside is a natural product originated from the enzymatic cleavage of its glucoside glucoaurantio-obtusin.
CAS Number
129025-96-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
492.433
Molecular Formula
C23H24O12
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

3-(beta-D-Glucopyranosyloxy)-1,7-dihydroxy-2,8-dimethoxy-6-methyl-9,10-anthracenedione

Aurantio-obtusin beta-D-glucoside is a beta-D-glucoside and a dihydroxyanthraquinone. It is functionally related to an aurantio-obtusin.

CAS Number129025-96-3
PubChem CID442725
IUPAC Name1,7-dihydroxy-2,8-dimethoxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
Molecular FormulaC23H24O12
Molecular Weight492.4
XLogP0.9
Topological Polar Surface Area192
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity792
SMILES
CC1=CC2=C(C(=C1O)OC)C(=O)C3=C(C(=C(C=C3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)O
InChI
InChI=1S/C23H24O12/c1-7-4-8-13(22(33-3)14(7)25)17(28)12-9(15(8)26)5-10(21(32-2)18(12)29)34-23-20(31)19(30)16(27)11(6-24)35-23/h4-5,11,16,19-20,23-25,27,29-31H,6H2,1-3H3/t11-,16-,19+,20-,23-/m1/s1
InChIKey
LQYQYAJWKXDTHR-PHVGODQESA-N
Chemical Structure
2D Structure
2D structure of 3-(beta-D-Glucopyranosyloxy)-1,7-dihydroxy-2,8-dimethoxy-6-methyl-9,10-anthracenedione
CAS: 129025-96-3
CID: 442725
Formula: C23H24O12
MW: 492.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight492.4
XLogP30.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Exact Mass492.12677620
Monoisotopic Mass492.12677620
Topological Polar Surface Area192 Ų
Heavy Atom Count35
Formal Charge0
Complexity792
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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