chempirical

Diosmetin 7-O-β-D-glucoside

C22H22O11CAS 20126-59-4462.41 g/mol

Open in Covalent MOL file
OOOHOOOHOHOHHOOHO
AcetalAlcoholEtherPhenol

Properties

Molecular formula
C22H22O11
Molar mass
462.41 g/mol
Exact mass
462.1162 Da
Melting point
253–255 °C
logP
0.06Crippen estimate
Polar surface area
179.3 Ų
H-bond donors / acceptors
6 / 11
Rotatable bonds
5
Stereocentres
S, R, S, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
20126-59-4
SMILES
COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O
InChIKey
WKUHPOMCLBLCOV-MIUGBVLSSA-N
InChI
InChI=1S/C22H22O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

16 names · show all
  • 4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-
  • Flavone, 3′,5,7-trihydroxy-4′-methoxy-, 7-β-D-glucopyranoside
  • Diosmetin, 7-β-D-glucopyranoside
  • Glucopyranoside, diosmetin-7, β-D-
  • 7-(β-D-Glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
  • Diosmetol 7-glucoside
  • 7-β-D-Glucopyranosyldiosmetol
  • Diosmetin 7-O-β-D-glucopyranoside
  • Diosmetin 7-O-glucoside
  • 7-O-β-D-Glucopyranosyl-3′,5-dihydroxy-4′-methoxyflavone
  • Diosmetin 7-glucoside
  • Diosmetin 7-O-β-glucoside
  • 7-O-(β-D-Glucopyranosyl)diosmetine
  • Eridictiol
  • Thalassiolin D aglycon
  • Diosmetin 7-O-beta-D-glucoside

Work with Diosmetin 7-O-β-D-glucoside

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tilianin4291-60-583 % similar Neodiosmin38665-01-982 % similar Cynaroside5373-11-582 % similar Diosmin520-27-478 % similar Apigetrin578-74-577 % similar Luteolin 4′-O-glucoside6920-38-375 % similar Fortunellin20633-93-669 % similar Veronicastroside25694-72-869 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Homoplantaginin17680-84-1 7-O-Beta-D-glucopyranoside19993-32-9 Tectoridin611-40-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook