-D-GLUCOPYRANOSIDE, 3-PHENYL-2-PROPENYL, (E)-

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

Structure

InChI Key KHPCPRHQVVSZAH-GUNCLKARSA-N
Smiles OC[C@H]1O[C@@H](OCC=Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
InChI
InChI=1S/C15H20O6/c16-9-11-12(17)13(18)14(19)15(21-11)20-8-4-7-10-5-2-1-3-6-10/h1-7,11-19H,8-9H2/b7-4+/t11-,12-,13+,14-,15-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H20O6
Molecular Weight 296.13
AlogP -0.48
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 5.0
Polar Surface Area 99.38
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 85026-55-7
NORMAN SUSDAT
CONTENTS