7-benzyloxy-6-D-glucosyloxycoumarin

HCID 22884042
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Basic information

Standard SMILES
O=c1ccc2cc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OCc3ccccc3)cc2o1
InChIKey
NUYWJVQUOKZELZ-JQQDRUSQSA-N
Molecular formula
C22H22O9
Average molar mass
430.4 g/mol

Names & identifiers

Preferred name
7-benzyloxy-6-D-glucosyloxycoumarin
IUPAC
7-phenylmethoxy-6-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

Names & synonyms

SCHEMBL7763957NUYWJVQUOKZELZ-JQQDRUSQSA-N7-benzyloxy-6-D-glucosyloxycoumarin7-benzyloxy-6-D-glucopyranosyloxycoumarin

Database identifiers

PubChem CID
22884042

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
135 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
31

Related reactions

2 records
New reaction record

Linked notes

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