yukovanol

yukovanol
Compound Structure:
Synonyms: yukovanol ;76265-12-8 ;3,5-dihydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one ;FS-7992 ;3,5-dihydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-2H,3H-pyrano[2,3-f]chromen-4-one
Compound ID: NMPC-1596
PubChem ID:

14542257

Molecular Formula: C20H18O6
Canonical SMILES: CC1(C=CC2=C(O1)C=C(C3=C2OC(C(C3=O)O)C4=CC=C(C=C4)O)O)C
InChIKey: CXIZZLWYTVCYIE-UHFFFAOYSA-N
About the compound:
Properties:

Computed Properties

Property Name

Property Value

Molecular Weight

354.4 g/mol

XLogP3-AA

3.1

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

6

Rotatable Bond Count

1

Exact Mass

354.11033829 g/mol

Monoisotopic Mass

354.11033829 g/mol

Topological Polar Surface Area

96.2Ų

Heavy Atom Count

26

Formal Charge

0

Complexity

579

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

2

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source:PubChem

Source Species: Ficus thonningii
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