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Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1?)keto-Fru

PubChem CID: 101110146

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Topological Polar Surface Area 435.0
Hydrogen Bond Donor Count 17.0
Heavy Atom Count 56.0
Isotope Atom Count 0.0
Molecular Complexity 1270.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 19.0
Iupac Name (3S,4R,5R)-1-[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4,5,6-tetrahydroxyhexan-2-one
Prediction Hob 0.0
Xlogp -10.1
Molecular Formula C30H52O26
Prediction Swissadme 0.0
Inchi Key ILMMPLBDVIYZLX-HHBKBXNDSA-N
Fcsp3 0.9666666666666668
Logs 0.66
Rotatable Bond Count 21.0
Logd -3.517
Compound Name Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1?)keto-Fru
Prediction Hob Swissadme 0.0
Exact Mass 828.275
Formal Charge 0.0
Monoisotopic Mass 828.275
Hydrogen Bond Acceptor Count 26.0
Molecular Weight 828.7
Covalent Unit Count 1.0
Total Atom Stereocenter Count 19.0
Total Bond Stereocenter Count 0.0
Esol 2.7457359999999964
Inchi InChI=1S/C30H52O26/c31-1-11(37)17(39)18(40)12(38)6-49-28(24(46)20(42)14(3-33)54-28)8-51-30(26(48)22(44)16(5-35)56-30)10-52-29(25(47)21(43)15(4-34)55-29)9-50-27(7-36)23(45)19(41)13(2-32)53-27/h11,13-26,31-37,39-48H,1-10H2/t11-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+,24+,25+,26+,27-,28-,29-,30-/m1/s1
Smiles C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)OC[C@@]3([C@H]([C@@H]([C@H](O3)CO)O)O)OC[C@@]4([C@H]([C@@H]([C@H](O4)CO)O)O)OCC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O
Nring 4.0
Defined Bond Stereocenter Count 0.0

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