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Daphnetin 8-O-glucoside

CAT: 0013-GTR19228518-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19228518-01Size:1 mg
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Description
Daphnetin 8-O-glucoside is a bioactive coumarin glycoside used in life science research. It serves as a key compound for in vitro studies investigating anti-inflammatory and antioxidant mechanisms, as well as for pharmacological research in related biochemical pathways.
CAS Number
20853-56-9
Smiles
O (C1=C2C (=CC=C1O) C=CC (=O) O2) [C@@H]3O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]3O
Molecular Formula
C15H16O9
Molecular Weight
340.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Daphnetin-8-glucoside

Daphnetin-8-glucoside has been reported in Cruciata taurica, Berchemia pakistanica, and other organisms with data available.

CAS Number20853-56-9
PubChem CID5316301
IUPAC Name7-hydroxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Molecular FormulaC15H16O9
Molecular Weight340.28
XLogP-0.6
Topological Polar Surface Area146
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity495
SMILES
C1=CC(=C(C2=C1C=CC(=O)O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI
InChI=1S/C15H16O9/c16-5-8-10(19)11(20)12(21)15(22-8)24-14-7(17)3-1-6-2-4-9(18)23-13(6)14/h1-4,8,10-12,15-17,19-21H,5H2/t8-,10-,11+,12-,15+/m1/s1
InChIKey
MMPBHSBVPREJQC-GCJOFGIHSA-N
Chemical Structure
2D Structure
2D structure of Daphnetin-8-glucoside
CAS: 20853-56-9
CID: 5316301
Formula: C15H16O9
MW: 340.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.28
XLogP3-0.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass340.07943208
Monoisotopic Mass340.07943208
Topological Polar Surface Area146 Ų
Heavy Atom Count24
Formal Charge0
Complexity495
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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