?-D-GLUCOPYRANOSIDE, ?-D-FRUCTOFURANOSYL, OCTADECANOATE

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Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key DFJDFEQYMTVWLX-IGELRRLDSA-N
Smiles CCCCCCCCCCCCCCCCCC(O)=O.OC[C@H]1O[C@](O)([C@H](O)[C@@H](O)[C@@H]1O)[C@@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O;CCCCCCCCCCCCCCCCCC(=O)O.C([C@@H]1[C@H]([C@@H]([C@@](O1)(CO)[C@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O
InChI
InChI=1S/C12H22O11/c13-1-4-6(16)8(18)10(20)12(21,23-4)11(3-15)9(19)7(17)5(2-14)22-11/h4-10,13-21H,1-3H2/t4-,5-,6-,7-,8+,9+,10-,11+,12-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H22O11
Molecular Weight 342.12
AlogP -6.01
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 9.0
Number of Rotational Bond 4.0
Polar Surface Area 200.53
Heavy Atoms 23.0

Cross References

Resources Reference
CAS NUMBER 37318-31-3
NORMAN SUSDAT
CONTENTS