chempirical

Rosarin

C20H28O10CAS 84954-93-8428.43 g/mol

Open in Covalent MOL file
OHOOOOOHOHHOOHHO
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C20H28O10
Molar mass
428.43 g/mol
Exact mass
428.1682 Da
logP
-2.02Crippen estimate
Polar surface area
158.3 Ų
H-bond donors / acceptors
6 / 10
Rotatable bonds
8
Stereocentres
S, R, R, R, R, S, S, R, Rin SMILES atom order
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
84954-93-8
SMILES
OC[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC/C=C/c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O
InChIKey
IEBFEMIXXHIISM-YZOUKVLTSA-N
InChI
InChI=1S/C20H28O10/c21-9-12-14(22)17(25)20(29-12)28-10-13-15(23)16(24)18(26)19(30-13)27-8-4-7-11-5-2-1-3-6-11/h1-7,12-26H,8-10H2/b7-4+/t12-,13+,14-,15+,16-,17+,18+,19+,20+/m0/s1

Weigh it out

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

Names and synonyms

5 names
  • β-D-Glucopyranoside, (2E)-3-phenyl-2-propen-1-yl 6-O-α-L-arabinofuranosyl-
  • β-D-Glucopyranoside, 3-phenyl-2-propenyl 6-O-α-L-arabinofuranosyl-, (E)-
  • β-D-Glucopyranoside, (2E)-3-phenyl-2-propenyl 6-O-α-L-arabinofuranosyl-
  • (2E)-3-Phenyl-2-propen-1-yl 6-O-α-L-arabinofuranosyl-β-D-glucopyranoside
  • Rosarin (glycoside)

Work with Rosarin

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

Rosin (chemical)85026-55-790 % similar Amygdalin29883-15-657 % similar Phenyl β-D-glucopyranoside1464-44-452 % similar Phenyl β-D-galactopyranoside2818-58-852 % similar Phenyl α-D-glucopyranoside4630-62-052 % similar Allyl α-D-glucopyranoside7464-56-450 % similar Levoglucosan498-07-748 % similar Isomaltitol534-73-647 % similar

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

Same formula

Rosavin84954-92-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia