3,4,3′-tri-O-methylellagic acid

3,4,3′-tri-O-methylellagic acid
Compound Structure:
Synonyms: CHEMBL2334354;DTXSID401301904;3,3',4'-tri-o-methylellagic acid;BDBM50428426
Compound ID: NMPC-304
PubChem ID:

11674590
Molecular Formula: C17H12O8
Canonical SMILES: COC1=C(C2=C3C(=C1)C(=O)OC4=C3C(=CC(=C4OC)OC)C(=O)O2)O
InChIKey: NDXSDWFOYZXARW-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

344.3 g/mol

XLogP3-AA

2.1

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

8

Rotatable Bond Count

3

Exact Mass

344.05321734 g/mol

Monoisotopic Mass

344.05321734 g/mol

Topological Polar Surface Area

101Ų

Heavy Atom Count

25

Formal Charge

0

Complexity

565

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                         
Source Species: Euphorbia deightonii
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