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Physcion-8-O-β-D-glucoside

CAT: 1407-AB2066Size: 20 mgDry Ice: NoHazardous: No
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CAT#:1407-AB2066Size:20 mg
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CAS Number
23451-01-6
Purity
98% (HPLC)
Molecular Formula
C22H22O10
Molecular Weight
446.41

Chemical Information

Rheochrysin

Rheochrysin is an anthraquinone.

CAS Number23451-01-6
PubChem CID168938
IUPAC Name1-hydroxy-6-methoxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
Molecular FormulaC22H22O10
Molecular Weight446.4
XLogP1.2
Topological Polar Surface Area163
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity715
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)OC
InChI
InChI=1S/C22H22O10/c1-8-3-10-15(12(24)4-8)19(27)16-11(17(10)25)5-9(30-2)6-13(16)31-22-21(29)20(28)18(26)14(7-23)32-22/h3-6,14,18,20-24,26,28-29H,7H2,1-2H3/t14-,18-,20+,21-,22-/m1/s1
InChIKey
POMKXWCJRHNLRP-DQMLXFRHSA-N
Chemical Structure
2D Structure
2D structure of Rheochrysin
CAS: 23451-01-6
CID: 168938
Formula: C22H22O10
MW: 446.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.4
XLogP31.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass446.12129689
Monoisotopic Mass446.12129689
Topological Polar Surface Area163 Ų
Heavy Atom Count32
Formal Charge0
Complexity715
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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TBW00872Physcion 8-β-D-glucoside
TRC-P398100-1MGPhyscion 8-beta-D-glucoside
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BBA29654-01Physcion-1-O-2-D-glucoside
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HY-N5091Physcion 8-O-β-D-glucopyranoside
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