Chemical Compound

A-HEPTA

CAS Registry Number 76472-96-3

Primary Record

Compound Identifiers & Properties

CAS: 76472-96-3
PubChem CID: 131884847
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)NC(=O)C)O[C@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)C)O)O)O)NC(=O)C)O[C@H]6[C@H]([C@H](O[C@H]([C@@H]6O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)CO)O)O)O
Canonical SMILES: CC(=O)N[C@H]1[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](NC(C)=O)[C@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]([C@H](O)[C@@H](O)C=O)[C@H](O)CO)[C@@H]4O)O[C@H](CO)[C@H]3O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O

A-HEPTA
SCHEMBL30458398
DTXSID301097994
76472-96-3
N-((2R,3R,4R,5R,6R)-2-(((2R,3R,4S,5S,6R)-2-(((2S,3R,4R,5S,6R)-3-acetamido-2-(((2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(((2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxy)tetrahydro-2H-pyran-4-yl)oxy)-6-(hydroxymethyl)-5-(((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-4-yl)oxy)-5-hydroxy-6-(hydroxymethyl)-3-(((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-4-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)acetamide
O-2-(Acetylamino)-2-deoxy-I+/--D-galactopyranosyl-(1a3)-O-[6-deoxy-I+/--L-galactopyranosyl-(1a2)]-O-I(2)-D-galactopyranosyl-(1a3)-O-[6-deoxy-I+/--L-galactopyranosyl-(1a4)]-O-2-(acetylamino)-2-deoxy-I(2)-D-glucopyranosyl-(1a3)-O-I(2)-D-galactopyranosyl-(1a4)-D-glucose