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8-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

PubChem CID: 162875410

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Topological Polar Surface Area 135.0
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 25.0
Isotope Atom Count 0.0
Molecular Complexity 510.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 5.0
Iupac Name 8-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Prediction Hob 1.0
Xlogp -0.3
Molecular Formula C16H18O9
Prediction Swissadme 0.0
Inchi Key DSJSXZXEYACBNV-HDNYONAXSA-N
Fcsp3 0.4375
Logs -2.01
Rotatable Bond Count 4.0
Logd -0.367
Compound Name 8-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Prediction Hob Swissadme 0.0
Exact Mass 354.095
Formal Charge 0.0
Monoisotopic Mass 354.095
Hydrogen Bond Acceptor Count 9.0
Molecular Weight 354.31
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Esol -0.8276282000000004
Inchi InChI=1S/C16H18O9/c1-22-15-8(4-2-7-3-5-10(18)25-14(7)15)23-16-13(21)12(20)11(19)9(6-17)24-16/h2-5,9,11-13,16-17,19-21H,6H2,1H3/t9-,11-,12+,13-,16-/m1/s1
Smiles COC1=C(C=CC2=C1OC(=O)C=C2)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

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