2'-(beta-D-glucopyranosyloxy)-6'-hydroxy-3-(5-benzo[b]furanyl)propiophenone

HCID 9933125
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Basic information

Standard SMILES
O=C(CCc1ccc2occc2c1)c1c(O)cccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
ZKBXROQWLPBHFI-DODNOZFWSA-N
Molecular formula
C23H24O9
Average molar mass
444.4 g/mol

Names & identifiers

Preferred name
2'-(beta-D-glucopyranosyloxy)-6'-hydroxy-3-(5-benzo[b]furanyl)propiophenone
IUPAC
3-(1-benzofuran-5-yl)-1-[2-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one

Names & synonyms

SCHEMBL8369261CHEMBL1159618ZKBXROQWLPBHFI-DODNOZFWSA-N2'-(beta-D-glucopyranosyloxy)-6'-hydroxy-3-(5-benzo[b]furanyl)propiophenone

Database identifiers

PubChem CID
9933125
ChEMBL
CHEMBL1159618
Nikkaji
J920.752J

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
150 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
32

Related reactions

3 records
New reaction record

Linked notes

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