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Physcion 8-glucoside

PubChem CID: 5319323

Connections displayed (default: 10).
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Compound Synonyms 26296-54-8, Physcion 8-glucoside, Physcion 1-O-beta-D-glucoside, Physion 8-O-, A-D-glucoside, 9,10-Anthracenedione, 1-(beta-D-glucopyranosyloxy)-8-hydroxy-6-methoxy-3-methyl-, Physion 8-O-beta-D-glucoside, CHEBI:8185, 1-hydroxy-3-methoxy-6-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione, Physcion-1-O-beta-D-Glucopyranoside, Physcion 1-glucoside, Physcion-8-glucoside, 9?10-Anthracenedione, physcion 8-O-glucoside, Physcion-8-beta-D-glucoside, CHEMBL457944, DTXSID30415749, HY-N2107, AKOS016010612, AC-34142, DA-56829, MS-28050, CS-0018628, NS00094685, F17662, Q27107882
Topological Polar Surface Area 163.0
Hydrogen Bond Donor Count 5.0
Heavy Atom Count 32.0
Isotope Atom Count 0.0
Molecular Complexity 715.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 5.0
Iupac Name 1-hydroxy-3-methoxy-6-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
Prediction Hob 0.0
Xlogp 1.2
Molecular Formula C22H22O10
Prediction Swissadme 0.0
Inchi Key WLXGUTUUWXVZNM-DQMLXFRHSA-N
Fcsp3 0.3636363636363636
Logs -4.687
Rotatable Bond Count 4.0
Logd 1.477
Compound Name Physcion 8-glucoside
Prediction Hob Swissadme 0.0
Exact Mass 446.121
Formal Charge 0.0
Monoisotopic Mass 446.121
Hydrogen Bond Acceptor Count 10.0
Molecular Weight 446.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Esol -3.4024296000000005
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
Smiles CC1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C(C2=O)C=C(C=C4O)OC
Nring 4.0
Defined Bond Stereocenter Count 0.0