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Fruf(b2-1a)[L-Fruf(b2-6)]Glc

PubChem CID: 101691507

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Compound Synonyms G87587VQ, Fruf(b2-1a)[L-Fruf(b2-6)]Glc
Topological Polar Surface Area 269.0
Hydrogen Bond Donor Count 11.0
Heavy Atom Count 34.0
Isotope Atom Count 0.0
Molecular Complexity 670.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 13.0
Iupac Name (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-[[(2S,3R,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol
Prediction Hob 0.0
Xlogp -5.5
Molecular Formula C18H32O16
Prediction Swissadme 0.0
Inchi Key HQFMTRMPFIZQJF-ZTLPJMBZSA-N
Fcsp3 1.0
Logs -0.425
Rotatable Bond Count 9.0
Logd -2.662
Compound Name Fruf(b2-1a)[L-Fruf(b2-6)]Glc
Prediction Hob Swissadme 0.0
Exact Mass 504.169
Formal Charge 0.0
Monoisotopic Mass 504.169
Hydrogen Bond Acceptor Count 16.0
Molecular Weight 504.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 13.0
Total Bond Stereocenter Count 0.0
Esol 1.1166843999999994
Inchi InChI=1S/C18H32O16/c19-1-6-10(24)14(28)17(4-21,32-6)30-3-8-9(23)12(26)13(27)16(31-8)34-18(5-22)15(29)11(25)7(2-20)33-18/h6-16,19-29H,1-5H2/t6-,7+,8+,9+,10-,11+,12-,13+,14+,15-,16+,17-,18-/m0/s1
Smiles C([C@H]1[C@@H]([C@H]([C@@](O1)(CO)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O)O)O
Nring 3.0
Defined Bond Stereocenter Count 0.0

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