7-O-Beta-D-glucopyranoside

C₂₂H₂₂O₁₁CAS 19993-32-9462.41 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether Phenol

Properties

Molecular formula: C₂₂H₂₂O₁₁
Molar mass: 462.41 g/mol
Exact mass: 462.1162 Da
logP: 0.06Crippen estimate
Polar surface area: 179.3 Å²
H-bond donors / acceptors: 6 / 11
Rotatable bonds: 5
Stereocentres: S, R, S, S, Rin SMILES atom order

Identifiers

CAS number

19993-32-9

SMILES

COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O

InChIKey

GAMYVSCDDLXAQW-MIUGBVLSSA-N

InChI

InChI=1S/C22H22O11/c1-30-15-4-9(2-3-11(15)24)14-7-13(26)18-12(25)5-10(6-16(18)32-14)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

1 names

Chrysoeriol-7-O-beta-D-glucoside

Work with 7-O-Beta-D-glucopyranoside

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 Cynaroside5373-11-582 % similar Apigetrin578-74-577 % similar Neodiosmin38665-01-973 % similar Veronicastroside25694-72-869 % similar Diosmin520-27-469 % similar Nepitrin569-90-468 % similar Luteolin 4′-O-glucoside6920-38-368 % similar

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

Same formula

Homoplantaginin17680-84-1 Diosmetin 7-O-β-D-glucoside20126-59-4 Tectoridin611-40-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook