chempirical

Physcion 1-O-β-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

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

Weigh it out

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

Names and synonyms

6 names
  • 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-β-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-β-D-glucopyranoside38840-23-281 % similar Emodin 8-O-β-D-glucopyranoside23313-21-578 % similar Aloe-emodin 8-O-β-D-glucopyranoside33037-46-658 % similar Parietin521-61-958 % similar 3-(β-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 Sennoside B128-57-447 % similar

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

Same formula

3''-Methoxypuerarin117047-07-1 Glycitin40246-10-4 Tilianin4291-60-5 Trifolirhizin6807-83-6

Elsewhere

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