chempirical

Piceatannol 3'-O-glucoside

C20H22O9CAS 94356-26-0406.39 g/mol

Open in Covalent MOL file
HOOHOOHOOHOHOHOH
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
S, R, S, S, Rin SMILES atom order
Double bonds
EE/Z, in SMILES 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
94356-26-0
SMILES
C1=CC(=C(C=C1/C=C/C2=CC(=CC(=C2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChIKey
UMGCIIXWEFTPOC-CUYWLFDKSA-N
InChI
InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-15-7-10(3-4-14(15)24)1-2-11-5-12(22)8-13(23)6-11/h1-8,16-27H,9H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1

Weigh it out

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

Work with Piceatannol 3'-O-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

Rhapontigenin 3'-O-glucoside94356-22-675 % similar Rhaponticin155-58-866 % similar Piceid27208-80-666 % similar Mulberroside A102841-42-963 % similar 3,5-Dihydroxy-4'-methoxystilbene-3beta-D-glucopyranoside30197-14-960 % similar Coniferin531-29-356 % similar Marein535-96-655 % similar Glucovanillin494-08-653 % similar

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

Same formula

2,3,5,4′-Tetrahydroxystilbene 2-O-β-D-glucoside82373-94-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook