prunin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 3
Total Number of Articles : 4
PubChem 92794
Molecular Formula

C21H22O10

SMILES

C1[C@H](OC2=CC(=CC(=C2C1=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC=C(C=C4)O

InChI

InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1

synonyms
  • Prunin
  • 529-55-5
  • Naringenin 7-O-beta-D-glucoside
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Properties
Property Value
MW 434.4 g/mol
HBD 6
HBA 10
Rotatable Bond Count 4
Exact Mass 434.12129689 g/mol
Monoisotopic Mass 434.12129689 g/mol
Heavy Atom Count 31
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 623
xlogp 0.6
Topological Polar Surface Area 166