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Chrysin 6-C-glucoside

CAT: 1410-M29644Size: 1 EachDry Ice: NoHazardous: No
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Description
Chrysin 6-C-glucoside is a natural product of Psidium, Myrtaceae. Chrysin 6-C-glucoside can be used as a reference standard.
CAS Number
28368-57-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
416.4
Molecular Formula
C21H20O9
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

chrysin 6-C-glucoside

chrysin 6-C-glucoside has been reported in Cyclanthera pedata with data available.

CAS Number28368-57-2
PubChem CID90657678
IUPAC Name5,7-dihydroxy-2-phenyl-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Molecular FormulaC21H20O9
Molecular Weight416.4
XLogP0.6
Topological Polar Surface Area157
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity661
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI
InChI=1S/C21H20O9/c22-8-14-17(25)19(27)20(28)21(30-14)16-11(24)7-13-15(18(16)26)10(23)6-12(29-13)9-4-2-1-3-5-9/h1-7,14,17,19-22,24-28H,8H2/t14-,17-,19+,20-,21+/m1/s1
InChIKey
KLLCDVSOGLKTDV-VJXVFPJBSA-N
Chemical Structure
2D Structure
2D structure of chrysin 6-C-glucoside
CAS: 28368-57-2
CID: 90657678
Formula: C21H20O9
MW: 416.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.4
XLogP30.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass416.11073221
Monoisotopic Mass416.11073221
Topological Polar Surface Area157 Ų
Heavy Atom Count30
Formal Charge0
Complexity661
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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