chempirical

2,3,5,4′-Tetrahydroxystilbene 2-O-β-D-glucoside

C20H22O9CAS 82373-94-2406.39 g/mol

Open in Covalent MOL file
OHOOOHOHHOHOOHOH
AcetalAlcoholAlkeneEtherPhenol

Properties

Molecular formula
C20H22O9
Molar mass
406.39 g/mol
Exact mass
406.1264 Da
logP
0.15Crippen estimate
Polar surface area
160.1 Ų
H-bond donors / acceptors
7 / 9
Rotatable bonds
5
Stereocentres
R, S, R, S, Sin SMILES atom order
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
82373-94-2
SMILES
OC[C@H]1O[C@@H](Oc2c(O)cc(O)cc2/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
JAYVHSBYKLLDJC-DSNJPTTOSA-N
InChI
InChI=1S/C20H22O9/c21-9-15-16(25)17(26)18(27)20(28-15)29-19-11(7-13(23)8-14(19)24)4-1-10-2-5-12(22)6-3-10/h1-8,15-18,20-27H,9H2/b4-1+/t15-,16-,17+,18-,20+/m1/s1

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

Names and synonyms

6 names
  • β-D-Glucopyranoside, 2,4-dihydroxy-6-[(1E)-2-(4-hydroxyphenyl)ethenyl]phenyl
  • β-D-Glucopyranoside, 2,4-dihydroxy-6-[2-(4-hydroxyphenyl)ethenyl]phenyl, (E)-
  • 2,4-Dihydroxy-6-[(1E)-2-(4-hydroxyphenyl)ethenyl]phenyl β-D-glucopyranoside
  • 2,3,4′,5-Tetrahydroxystilbene 2-O-D-glucoside
  • (E)-2,3,5,4′-Tetrahydroxy stilbene-2-O-glucoside
  • trans-2,3,5,4′-Tetrahydroxystilbene-2-O-β-d-glucopyranoside

Work with 2,3,5,4′-Tetrahydroxystilbene 2-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

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

Elsewhere

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