6-O-caffeoyl-glucose

6-O-caffeoyl-glucose
Compound Structure:
Synonyms: 6-Caffeoyl-D-glucose;D-Glucose, 6-(3-(3,4-dihydroxyphenyl)-2-propenoate);10066-92-9;glucose 6-caffeoate
Compound ID: NMPC-476
PubChem ID:

44150232
Molecular Formula: C15H18O9
Canonical SMILES: C1=CC(=C(C=C1C=CC(=O)OCC(C(C(C(C=O)O)O)O)O)O)O
InChIKey: QJLOZYUVIYIABJ-ALMBQQNPSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

342.30 g/mol

XLogP3-AA

-1.5

Hydrogen Bond Donor Count

6

Hydrogen Bond Acceptor Count

9

Rotatable Bond Count

9

Exact Mass

342.09508215 g/mol

Monoisotopic Mass

342.09508215 g/mol

Topological Polar Surface Area

165Ų

Heavy Atom Count

24

Formal Charge

0

Complexity

439

Isotope Atom Count

0

Defined Atom Stereocenter Count

4

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

1

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                         
Source Species: Luffa cylindrica
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