chempirical

Salidroside

C14H20O7CAS 10338-51-9300.31 g/mol

Open in Covalent MOL file
HOOOOHOHOHHO
AcetalAlcoholEtherPhenol

Properties

Molecular formula
C14H20O7
Molar mass
300.31 g/mol
Exact mass
300.1209 Da
Melting point
159–160 °C
logP
-1.25Crippen estimate
Polar surface area
119.6 Ų
H-bond donors / acceptors
5 / 7
Rotatable bonds
5
Stereocentres
R, R, R, S, Sin SMILES atom order

Identifiers

CAS number
10338-51-9
SMILES
OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
ILRCGYURZSFMEG-RKQHYHRCSA-N
InChI
InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1

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Names and synonyms

9 names
  • β-D-Glucopyranoside, 2-(4-hydroxyphenyl)ethyl
  • Glucopyranoside, p-hydroxyphenethyl
  • 2-(4-Hydroxyphenyl)ethyl β-D-glucopyranoside
  • Rhodioloside
  • Rhodosin
  • Tyrosol α-(β-D-glucopyranoside)
  • 4-Hydroxyphenyl-2-ethyl-β-D-glucopyranoside
  • Sallidroside
  • (2R,3S,4S,5R,6R)-2-(Hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy] oxane-3,4,5-triol

Work with Salidroside

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

Arbutin497-76-765 % similar α-Arbutin84380-01-865 % similar Gastrodin62499-27-855 % similar Trehalose99-20-753 % similar Trilobatin4192-90-953 % similar Octyl α-D-glucopyranoside29781-80-452 % similar Octyl glucoside29836-26-852 % similar Decyl glucoside58846-77-852 % similar

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

Elsewhere

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