6-C-β-glucopyranosyl-8-C-α-arabinopyranosylapigenin

6-C-β-glucopyranosyl-8-C-α-arabinopyranosylapigenin
Compound Structure:
Synonyms: Apigenin 6-C-alpha-L-arabinopyranoside-8-C-beta-D-glucopyranoside;LMPK12110243
Compound ID: NMPC-466
PubChem ID:

44257699
Molecular Formula: C26H28O14
Canonical SMILES: C1C(C(C(C(O1)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O)O
InChIKey: OVMFOVNOXASTPA-ICQLDYLPSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

564.5 g/mol

XLogP3-AA

-2.2

Hydrogen Bond Donor Count

10

Hydrogen Bond Acceptor Count

14

Rotatable Bond Count

4

Exact Mass

564.14790556 g/mol

Monoisotopic Mass

564.14790556 g/mol

Topological Polar Surface Area

247Ų

Heavy Atom Count

40

Formal Charge

0

Complexity

938

Isotope Atom Count

0

Defined Atom Stereocenter Count

6

Undefined Atom Stereocenter Count

3

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                         
Source Species: Eleusine indica
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