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Chemical structure of 5,7-Dihydroxycoumarin 7-O-β-D-glucopyranoside

GC68560

5,7-Dihydroxycoumarin 7-O-β-D-glucopyranoside

Also known as 5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

5,7-Dihydroxycoumarin 7-O-β-D-glucopyranoside is a natural product that can be isolated from the roots of Morus nigra

ChemicalCAS944726-22-1MW340.28FormulaC15H16O9
CAS number
944726-22-1
Molecular weight
340.28
Formula
C15H16O9
InChIKey
PMKPSPVMSCXFLK-TVKJYDDYSA-N
Catalogue number
GC68560
Brand
GLPBIO
Computed properties PubChem CID 102601185 · XLogP -0.6 · TPSA 146 Ų · H-bond donors 5
XLogP
-0.6
TPSA
146 Ų
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
3
Heavy atoms
24

SMILES C1=CC(=O)OC2=CC(=CC(=C21)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

Computed descriptors from PubChem (CID 102601185), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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