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4-b-Laminaribiosylglucose

PubChem CID: 91850734

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Compound Synonyms 4467-70-3, 4-b-Laminaribiosylglucose, Glc(b1-3)Glc(b1-4)b-Glc, CHEBI:146922, 4-O-beta-Laminaribiosyl-D-glucose, beta-D-Glcp-(1->3)-beta-D-Glcp-(1->4)-beta-D-Glcp, WURCS=2.0/1,3,2/[a2122h-1b_1-5]/1-1-1/a4-b1_b3-c1, (2R,3R,4R,5S,6R)-5-(((2S,3R,4S,5R,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4-triol, (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6S)-3,5-Dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, beta-D-gluco-hexopyranosyl-(1->3)-beta-D-gluco-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose
Topological Polar Surface Area 269.0
Hydrogen Bond Donor Count 11.0
Heavy Atom Count 34.0
Isotope Atom Count 0.0
Molecular Complexity 641.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 15.0
Iupac Name (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Prediction Hob 0.0
Xlogp -6.3
Molecular Formula C18H32O16
Prediction Swissadme 0.0
Inchi Key ODDPRQJTYDIWJU-YTJFHSSISA-N
Fcsp3 1.0
Logs -4.939
Rotatable Bond Count 7.0
Logd 1.658
Compound Name 4-b-Laminaribiosylglucose
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 15.0
Total Bond Stereocenter Count 0.0
Esol 1.4823843999999988
Inchi InChI=1S/C18H32O16/c19-1-4-7(22)9(24)12(27)17(31-4)34-15-8(23)5(2-20)32-18(13(15)28)33-14-6(3-21)30-16(29)11(26)10(14)25/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9+,10-,11-,12-,13-,14-,15+,16-,17+,18+/m1/s1
Smiles C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O)O
Nring 7.0
Defined Bond Stereocenter Count 0.0

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