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

PubChem CID: 162939618

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Topological Polar Surface Area 146.0
Hydrogen Bond Donor Count 5.0
Heavy Atom Count 24.0
Isotope Atom Count 0.0
Molecular Complexity 495.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 5.0
Iupac Name 7-hydroxy-8-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Prediction Hob 0.0
Xlogp -0.6
Molecular Formula C15H16O9
Prediction Swissadme 0.0
Inchi Key MMPBHSBVPREJQC-DPXQDECBSA-N
Fcsp3 0.4
Logs -1.777
Rotatable Bond Count 3.0
Logd -0.553
Compound Name 7-hydroxy-8-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Prediction Hob Swissadme 0.0
Exact Mass 340.079
Formal Charge 0.0
Monoisotopic Mass 340.079
Hydrogen Bond Acceptor Count 9.0
Molecular Weight 340.28
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Esol -0.6110941333333333
Inchi InChI=1S/C15H16O9/c16-5-8-10(19)11(20)12(21)15(22-8)24-14-7(17)3-1-6-2-4-9(18)23-13(6)14/h1-4,8,10-12,15-17,19-21H,5H2/t8-,10+,11+,12-,15+/m1/s1
Smiles C1=CC(=C(C2=C1C=CC(=O)O2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O
Nring 3.0
Defined Bond Stereocenter Count 0.0

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