O-I(2)-D-Glucopyranosyl-(1a3)-O-2-(acetylamino)-2-deoxy-I(2)-D-glucopyranosyl-(1a3)-O-[6-deoxy-I+/--L-galactopyranosyl-(1a4)]-O-I(2)-D-galactopyranosyl-(1a4)-O-[6-deoxy-I+/--L-galactopyranosyl-(1a3)]-D-glucose

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Basic information

CAS: 185565-23-5
Standard SMILES: CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]([C@H](O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)C=O)[C@H](O)CO)O[C@H](CO)[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[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey: UZSXFUPFAYNWCJ-IMCRZTQSSA-N
Molecular formula: C38H65NO29
Average molar mass: 999.9 g/mol
Monoisotopic mass: 999.36422504

Names & identifiers

Preferred name: O-I(2)-D-Glucopyranosyl-(1a3)-O-2-(acetylamino)-2-deoxy-I(2)-D-glucopyranosyl-(1a3)-O-[6-deoxy-I+/--L-galactopyranosyl-(1a4)]-O-I(2)-D-galactopyranosyl-(1a4)-O-[6-deoxy-I+/--L-galactopyranosyl-(1a3)]-D-glucose
IUPAC: N-[(2S,3R,4R,5S,6R)-5-hydroxy-2-[(2R,3S,4R,5R,6S)-5-hydroxy-2-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[(2R,3R,4R,5R)-1,2,5-trihydroxy-6-oxo-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-3-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

Names & synonyms

DTXSID201098470185565-23-5O-I(2)-D-Glucopyranosyl-(1a3)-O-2-(acetylamino)-2-deoxy-I(2)-D-glucopyranosyl-(1a3)-O-[6-deoxy-I+/--L-galactopyranosyl-(1a4)]-O-I(2)-D-galactopyranosyl-(1a4)-O-[6-deoxy-I+/--L-galactopyranosyl-(1a3)]-D-glucose

Database identifiers

CAS: 185565-23-5
PubChem CID: 165366015
DTXSID: DTXSID201098470

Properties

Computed structural properties

XLogP: -11
Topological polar surface area: 482 Å²
Hydrogen bond donors: 18
Hydrogen bond acceptors: 29
Rotatable bonds: 19
Heavy atoms: 68
Formal charge: 0
Complexity: 1,580

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Compound notes

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