Hoslunddiol

Hoslunddiol
Compound Structure:
Synonyms: 6-[(2R,4R,5S)-4,5-dihydroxy-6-methyloxan-2-yl]-5-hydroxy-7-methoxy-2-phenylchromen-4-one; Hoslunddiol
Compound ID: NMPC-1132
PubChem ID:

44257619
Molecular Formula: C22H22O7
Canonical SMILES: CC1C(C(CC(O1)C2=C(C=C3C(=C2O)C(=O)C=C(O3)C4=CC=CC=C4)OC)O)O
InChIKey: URTJMLCOGKHVDK-OPUDBWHJSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

398.4 g/mol

XLogP3-AA

2.4

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

7

Rotatable Bond Count

3

Exact Mass

398.13655304 g/mol

Monoisotopic Mass

398.13655304 g/mol

Topological Polar Surface Area

105Ų

Heavy Atom Count

29

Formal Charge

0

Complexity

629

Isotope Atom Count

0

Defined Atom Stereocenter Count

3

Undefined Atom Stereocenter Count

1

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem            
Source Species: Hoslundia opposita
Download SDF