chempirical

Piceid

C20H22O8CAS 27208-80-6390.39 g/mol

Open in Covalent MOL file
HOOOOHOHOHOHHO
AcetalAlcoholAlkeneEtherPhenol

Properties

Molecular formula
C20H22O8
Molar mass
390.39 g/mol
Exact mass
390.1315 Da
Melting point
225–226 °C
logP
0.45Crippen estimate
Polar surface area
139.8 Ų
H-bond donors / acceptors
6 / 8
Rotatable bonds
5
Stereocentres
R, S, R, S, Sin SMILES atom order
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
27208-80-6
SMILES
OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
HSTZMXCBWJGKHG-CUYWLFDKSA-N
InChI
InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1

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Names and synonyms

21 names · show all
  • β-D-Glucopyranoside, 3-hydroxy-5-[(1E)-2-(4-hydroxyphenyl)ethenyl]phenyl
  • β-D-Glucopyranoside, 3-hydroxy-5-[2-(4-hydroxyphenyl)ethenyl]phenyl, (E)-
  • 3-Hydroxy-5-[(1E)-2-(4-hydroxyphenyl)ethenyl]phenyl β-D-glucopyranoside
  • Polydatin
  • (E)-Polydatin
  • trans-Piceid
  • trans-Polydatin
  • 3-Hydroxy-5-(p-hydroxystyryl)phenyl β-D-glucoside
  • (E)-Piceid
  • Resveratrol 3-O-β-glucopyranoside
  • (E)-Resveratrol 3-O-β-D-glucopyranoside
  • Pieceid
  • Polydotin peceid
  • Resveratrol 3-O-β-D-glucoside
  • (-)-trans-Resveratrol 13-O-β-D-glucopyranoside
  • trans-Resveratrol 3-glucoside
  • Resveratrol glucoside
  • Resveratrol β-D-glucoside
  • Resveratrol β-glucoside
  • 3-O-Glucosyl-resveratrol
  • Resveratrol 3-O-glucoside

Work with Piceid

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

Mulberroside A102841-42-975 % similar Rhaponticin155-58-871 % similar Arbutin497-76-767 % similar 2,3,5,4′-Tetrahydroxystilbene 2-O-β-D-glucoside82373-94-267 % similar α-Arbutin84380-01-867 % similar Isoliquiritin5041-81-657 % similar Phenyl β-D-glucopyranoside1464-44-454 % similar Phenyl β-D-galactopyranoside2818-58-854 % similar

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

Elsewhere

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