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Diosmin-7-O-beta-D-Glucoside

CAT: 1596-AR-D01921-01Size: 150Dry Ice: NoHazardous: No
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CAS Number
20126-59-4
Synonyms
5-hydroxy-2- (3-hydroxy-4-methoxyphenyl) -7- (((2S,3R,4S,5S,6R) -3,4,5-trihydroxy-6- (hydroxymethyl) tetrahydro-2H-pyran-2-yl) oxy) -4H-chromen-4-one; 7-O-?-D-Glucopyranosyl-3',5-dihydroxy-4'-methoxyflavone;7-?-D-Glucopyranosyldiosmetol; Diosmetin 7-O-Glucoside; Diosmetin 7-O-?-D-Glucopyranoside; Diosmetin 7-O-?-D-Glucoside; Diosmetin 7-O-?-Glucoside; Diosmetin 7-glucoside; Diosmetol 7-Glucoside; Eridictiol; Thalassiolin D Aglycon
Molecular Formula
C22H22O11
Molecular Weight
462.41
API Name
Diosmin

Chemical Information

Diosmetin 7-O-beta-D-glucoside

Diosmetin 7-O-beta-D-glucopyranoside is a glycoside and a member of flavonoids.

CAS Number20126-59-4
PubChem CID11016019
IUPAC Name5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular FormulaC22H22O11
Molecular Weight462.4
XLogP0.8
Topological Polar Surface Area175
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity729
SMILES
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
InChI
InChI=1S/C22H22O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1
InChIKey
WKUHPOMCLBLCOV-MIUGBVLSSA-N
Chemical Structure
2D Structure
2D structure of Diosmetin 7-O-beta-D-glucoside
CAS: 20126-59-4
CID: 11016019
Formula: C22H22O11
MW: 462.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.4
XLogP30.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass462.11621151
Monoisotopic Mass462.11621151
Topological Polar Surface Area175 Ų
Heavy Atom Count33
Formal Charge0
Complexity729
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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Alternative Products

CatalogName
CS-P-07709Diosmin-7-O-beta-D-Glucoside
XP173148Pinocembrin 7-O-beta-D-glucoside
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TRC-K162900-100MGKaempferol-7-O-Beta-D-glucoside
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