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Isofraxoside

PubChem CID: 11508953

Connections displayed (default: 10).
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Compound Synonyms Isofraxoside, 24778-11-8, 8-hydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one, DTXSID101347440, AKOS040735214, NCGC00386042-02, XI163791, NS00097665
Topological Polar Surface Area 155.0
Hydrogen Bond Donor Count 5.0
Heavy Atom Count 26.0
Isotope Atom Count 0.0
Molecular Complexity 539.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 5.0
Iupac Name 8-hydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Prediction Hob 0.0
Xlogp -0.6
Molecular Formula C16H18O10
Prediction Swissadme 0.0
Inchi Key RVWWDDKOKZXKCJ-ZOLYHUHESA-N
Fcsp3 0.4375
Logs -1.636
Rotatable Bond Count 4.0
Logd -0.585
Compound Name Isofraxoside
Prediction Hob Swissadme 0.0
Exact Mass 370.09
Formal Charge 0.0
Monoisotopic Mass 370.09
Hydrogen Bond Acceptor Count 10.0
Molecular Weight 370.31
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Esol -0.6949373846153851
Inchi InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)13(22)15(7)26-16-12(21)11(20)10(19)8(5-17)24-16/h2-4,8,10-12,16-17,19-22H,5H2,1H3/t8-,10-,11+,12-,16+/m1/s1
Smiles COC1=C(C(=C2C(=C1)C=CC(=O)O2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Nring 3.0
Defined Bond Stereocenter Count 0.0