chempirical

3,5-Dihydroxy-4'-methoxystilbene-3beta-D-glucopyranoside

C21H24O8CAS 30197-14-9404.42 g/mol

Open in Covalent MOL file
OOOHOHOOHOHOH
AcetalAlcoholAlkeneEtherPhenol

Properties

Molecular formula
C21H24O8
Molar mass
404.42 g/mol
Exact mass
404.1471 Da
logP
0.75Crippen estimate
Polar surface area
128.8 Ų
H-bond donors / acceptors
5 / 8
Rotatable bonds
6
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
30197-14-9
SMILES
COC1=CC=C(C=C1)/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChIKey
MFMQRDLLSRLUJY-DXKBKAGUSA-N
InChI
InChI=1S/C21H24O8/c1-27-15-6-4-12(5-7-15)2-3-13-8-14(23)10-16(9-13)28-21-20(26)19(25)18(24)17(11-22)29-21/h2-10,17-26H,11H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1

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Names and synonyms

1 names
  • 3,5-Dihydroxy-4'-methoxystilbene 3-O-beta-D-glucoside

Work with 3,5-Dihydroxy-4'-methoxystilbene-3beta-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

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

Elsewhere

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