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Tachioside

PubChem CID: 11962143

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Compound Synonyms Tachioside, 109194-60-7, 1-O-(4-Hydroxy-3-methoxyphenyl)-beta-D-glucopyranose, (2S,3R,4S,5S,6R)-2-(4-hydroxy-3-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol, (2S,3R,4S,5S,6R)-2-(4-Hydroxy-3-methoxyphenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, SCHEMBL9576060, CHEMBL1077078, HY-N1186, AKOS032948097, FS-10122, CS-0016477, F92965, 4-hydroxy-3-methoxyphenol beta-d-glucopyranoside, (2S,3R,4S,5S,6R)-2-(4-hydroxy-3-methoxy-phenoxy)-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 129.0
Hydrogen Bond Donor Count 5.0
Pfizer 3 75 Rule True
Scaffold Graph Level C1CCC(CC2CCCCC2)CC1
Deep Smiles OC[C@H]O[C@@H]Occcccc6)OC)))O))))))[C@@H][C@H][C@@H]6O))O))O
Heavy Atom Count 21.0
Classyfire Class Organooxygen compounds
Scaffold Graph Node Level C1CCC(OC2CCCCO2)CC1
Classyfire Subclass Carbohydrates and carbohydrate conjugates
Isotope Atom Count 0.0
Molecular Complexity 327.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 5.0
Uniprot Id P10253
Iupac Name (2S,3R,4S,5S,6R)-2-(4-hydroxy-3-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Prediction Hob 0.0
Veber Rule True
Classyfire Superclass Organic oxygen compounds
Xlogp -0.9
Gsk 4 400 Rule True
Molecular Formula C13H18O8
Scaffold Graph Node Bond Level c1ccc(OC2CCCCO2)cc1
Prediction Swissadme 0.0
Inchi Key KWVHACHAQJFTLZ-UJPOAAIJSA-N
Silicos It Class Soluble
Fcsp3 0.5384615384615384
Logs -0.724
Rotatable Bond Count 4.0
Logd -0.366
Synonyms tachioside
Esol Class Very soluble
Functional Groups CO, cO, cOC, cO[C@@H](C)OC
Compound Name Tachioside
Prediction Hob Swissadme 0.0
Exact Mass 302.1
Formal Charge 0.0
Monoisotopic Mass 302.1
Hydrogen Bond Acceptor Count 8.0
Molecular Weight 302.28
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -1.1071583714285715
Inchi InChI=1S/C13H18O8/c1-19-8-4-6(2-3-7(8)15)20-13-12(18)11(17)10(16)9(5-14)21-13/h2-4,9-18H,5H2,1H3/t9-,10-,11+,12-,13-/m1/s1
Smiles COC1=C(C=CC(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
Nring 2.0
Defined Bond Stereocenter Count 0.0
Egan Rule False