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Goodyeroside

PubChem CID: 10445498

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Compound Synonyms Goodyeroside, Goodyeroside A, CHEMBL2071309, 211107-44-7, DTXSID301217287, BDBM50390000, HY-N13159, (4S)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one, (3s)-3-(beta-d-glucopyranosyloxy)butanolide, (4S)-4-(I(2)-D-Glucopyranosyloxy)dihydro-2(3H)-furanone
Topological Polar Surface Area 126.0
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 18.0
Isotope Atom Count 0.0
Molecular Complexity 308.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 6.0
Uniprot Id P43428
Iupac Name (4S)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one
Prediction Hob 1.0
Xlogp -2.4
Molecular Formula C10H16O8
Prediction Swissadme 0.0
Inchi Key MQEPWBMWFIVRPS-MBOSOLAWSA-N
Fcsp3 0.9
Logs -0.325
Rotatable Bond Count 3.0
Logd -1.515
Compound Name Goodyeroside
Prediction Hob Swissadme 0.0
Exact Mass 264.085
Formal Charge 0.0
Monoisotopic Mass 264.085
Hydrogen Bond Acceptor Count 8.0
Molecular Weight 264.23
Covalent Unit Count 1.0
Total Atom Stereocenter Count 6.0
Total Bond Stereocenter Count 0.0
Esol 0.47117400000000004
Inchi InChI=1S/C10H16O8/c11-2-5-7(13)8(14)9(15)10(18-5)17-4-1-6(12)16-3-4/h4-5,7-11,13-15H,1-3H2/t4-,5+,7+,8-,9+,10+/m0/s1
Smiles C1[C@@H](COC1=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Nring 2.0
Defined Bond Stereocenter Count 0.0