oxypeucedanin hydrate

oxypeucedanin hydrate
Compound Structure:
Synonyms: Oxypeucedanin hydrate; 2643-85-8 ;(+)-Oxypeucedanin hydrate; Prangolarin hydrate; Aviprin
Compound ID: NMPC-1371
PubChem ID:

17536
Molecular Formula: C16H16O6
Canonical SMILES: CC(C)(C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)O
InChIKey: PEWFWDOPJISUOK-CYBMUJFWSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

304.29 g/mol

XLogP3-AA

1.6

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

6

Rotatable Bond Count

4

Exact Mass

304.09468823 g/mol

Monoisotopic Mass

304.09468823 g/mol

Topological Polar Surface Area

89.1Ų

Heavy Atom Count

22

Formal Charge

0

Complexity

460

Isotope Atom Count

0

Defined Atom Stereocenter Count

1

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: Ficus exasperata
Download SDF