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Chemical structure of Hamamelitannin

GC60185

Hamamelitannin

Also known as [3,4,5-trihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate

Hamamelitannin, a polyphenol extracted from the bark of Hamamelis virginiana, is a quorum-sensing (QS) inhibitor

ChemicalCAS469-32-9MW484.36FormulaC20H20O14
CAS number
469-32-9
Molecular weight
484.36
Formula
C20H20O14
InChIKey
FEPAFOYQTIEEIS-UHFFFAOYSA-N
Catalogue number
GC60185
Brand
GLPBIO
Computed properties PubChem CID 253775 · XLogP -1.1 · TPSA 244 Ų · H-bond donors 9
XLogP
-1.1
TPSA
244 Ų
H-bond donors
9
H-bond acceptors
14
Rotatable bonds
8
Heavy atoms
34

SMILES C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(O2)O)(COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O

Computed descriptors from PubChem (CID 253775), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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