Flavone, 4’,5,7-triethoxy-3,3’,6-trimethoxy

Flavone, 4’,5,7-triethoxy-3,3’,6-trimethoxy
Compound Structure:
Synonyms: 5,7-diethoxy-2-(4-ethoxy-3-methoxyphenyl)-3,6-dimethoxychromen-4-one; Flavone, 4',5,7-triethoxy-3,3',6-trimethoxy-; 5,7-Diethoxy-2-(4-ethoxy-3-methoxyphenyl)-3,6-dimethoxy-4H-chromen-4-one
Compound ID: NMPC-1055
PubChem ID:

634724
Molecular Formula: C24H28O8
Canonical SMILES: CCOC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OCC)OC)OCC)OC)OC
InChIKey: XDCVLIJOGUMJHB-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

444.5 g/mol

XLogP3-AA

4.3

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

8

Rotatable Bond Count

10

Exact Mass

444.17841785 g/mol

Monoisotopic Mass

444.17841785 g/mol

Topological Polar Surface Area

81.7Ų

Heavy Atom Count

32

Formal Charge

0

Complexity

650

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: Phyllanthus amarus
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