chempirical

Physcion 1-O-beta-D-glucoside

C22H22O10CAS 26296-54-8446.41 g/mol

Open in Covalent MOL file
OOHOOOOHOHOHHOO
AcetalAlcoholEtherKetonePhenol

Properties

Molecular formula
C22H22O10
Molar mass
446.41 g/mol
Exact mass
446.1213 Da
Melting point
235 °C
logP
-0.34Crippen estimate
Polar surface area
163.0 Ų
H-bond donors / acceptors
5 / 10
Rotatable bonds
4
Stereocentres
S, R, S, S, Rin SMILES atom 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
26296-54-8
SMILES
COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O
InChIKey
WLXGUTUUWXVZNM-DQMLXFRHSA-N
InChI
InChI=1S/C22H22O10/c1-8-3-10-16(19(27)15-11(17(10)25)5-9(30-2)6-12(15)24)13(4-8)31-22-21(29)20(28)18(26)14(7-23)32-22/h3-6,14,18,20-24,26,28-29H,7H2,1-2H3/t14-,18-,20+,21-,22-/m1/s1

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Names and synonyms

7 names
  • Physcion 1-O-β-D-glucoside
  • 9,10-Anthracenedione, 1-(β-D-glucopyranosyloxy)-8-hydroxy-6-methoxy-3-methyl-
  • Physcionin
  • 1-(β-D-Glucopyranosyloxy)-8-hydroxy-6-methoxy-3-methyl-9,10-anthracenedione
  • Physcion 1-β-D-glucopyranoside
  • 3-Methyl-6-methoxy-1,8-dihydroxyanthraquinone 1-glucoside
  • Physcion 1-O-β-D-glucopyranoside

Work with Physcion 1-O-beta-D-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

Emodin 1-O-beta-D-glucoside38840-23-281 % similar Emodin 8-O-β-D-glucopyranoside23313-21-578 % similar Chrysophanol 8-O-β-D-glucopyranoside13241-28-673 % similar Aloe-emodin 8-O-β-D-glucopyranoside33037-46-658 % similar Parietin521-61-958 % similar 3-(Beta-D-Glucopyranosyloxy)-1,7-dihydroxy-2,8-dimethoxy-6-methyl-9,10-anthracenedione129025-96-357 % similar Hesperetin 7-glucoside31712-49-951 % similar Swertianolin23445-00-348 % similar

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

Same formula

3''-Methoxypuerarin117047-07-1 Calycosin 7-o-beta-D-glucoside20633-67-4 Glycitin40246-10-4 Tilianin4291-60-5 Trifolirhizin6807-83-6

Elsewhere

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