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furan-2-yl-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]methanone

PubChem CID: 56957571

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Topological Polar Surface Area 179.0
Hydrogen Bond Donor Count 6.0
Heavy Atom Count 28.0
Isotope Atom Count 0.0
Molecular Complexity 545.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 10.0
Iupac Name furan-2-yl-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]methanone
Prediction Hob 0.0
Xlogp -2.3
Molecular Formula C17H24O11
Prediction Swissadme 0.0
Inchi Key KAXDLRWJSRWBER-IETLUCLUSA-N
Fcsp3 0.7058823529411765
Logs -6.107
Rotatable Bond Count 5.0
Logd 3.273
Compound Name furan-2-yl-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]methanone
Prediction Hob Swissadme 0.0
Exact Mass 404.132
Formal Charge 0.0
Monoisotopic Mass 404.132
Hydrogen Bond Acceptor Count 11.0
Molecular Weight 404.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 10.0
Total Bond Stereocenter Count 0.0
Esol -0.6876244571428578
Inchi InChI=1S/C17H24O11/c1-6-9(18)12(21)15(24)17(27-6)26-5-8-10(19)13(22)14(23)16(28-8)11(20)7-3-2-4-25-7/h2-4,6,8-10,12-19,21-24H,5H2,1H3/t6-,8+,9-,10+,12+,13-,14+,15+,16-,17+/m0/s1
Smiles C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C(=O)C3=CC=CO3)O)O)O)O)O)O
Nring 2.0
Defined Bond Stereocenter Count 0.0

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