chempirical

Rhapontigenin 3'-O-glucoside

C21H24O9CAS 94356-22-6420.41 g/mol

Open in Covalent MOL file
OOHOHOOOHOHHOHO
AcetalAlcoholAlkeneEtherPhenol

Properties

Molecular formula
C21H24O9
Molar mass
420.41 g/mol
Exact mass
420.1420 Da
logP
0.46Crippen estimate
Polar surface area
149.1 Ų
H-bond donors / acceptors
6 / 9
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
94356-22-6
SMILES
COC1=C(C=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
InChIKey
NMZBFHDKUAVGLR-DXKBKAGUSA-N
InChI
InChI=1S/C21H24O9/c1-28-15-5-4-11(2-3-12-6-13(23)9-14(24)7-12)8-16(15)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1

Weigh it out

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

Work with Rhapontigenin 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

Piceatannol 3'-O-glucoside94356-26-075 % similar Coniferin531-29-370 % similar 3,5-Dihydroxy-4'-methoxystilbene-3beta-D-glucopyranoside30197-14-968 % similar Glucovanillin494-08-666 % similar Piceid27208-80-663 % similar Syringin118-34-360 % similar Mulberroside A102841-42-955 % similar Phillyrin487-41-255 % similar

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

Same formula

Rhaponticin155-58-8

Elsewhere

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