O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-4)-O-(O-beta-D-galactopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-2)-alpha-D-mannopyranosyl-(1-3))-O-(O-beta-D-galactopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-2)-alpha-D-mannopyranosyl-(1-6))-O-beta-D-mannopyranosyl-(1-4)-2-(acetylamino)-2-deoxy-beta-D-Glucopyranose
[CAS# 129830-00-8]

Identification

• Name: O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-4)-O-(O-beta-D-galactopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-2)-alpha-D-mannopyranosyl-(1-3))-O-(O-beta-D-galactopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-2)-alpha-D-mannopyranosyl-(1-6))-O-beta-D-mannopyranosyl-(1-4)-2-(acetylamino)-2-deoxy-beta-D-Glucopyranose
• Synonyms: N-[(2S,3R,4R,5S,6R)-4,5-Bis[[(2S,3S,4S,5R,6R)-3-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-5-Hydroxy-6-(Hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy]-6-[[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-3-Yl]Acetamide; N-[(2S,3R,4R,5S,6R)-4,5-Bis[[(2S,3S,4S,5R,6R)-3-[[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-5-Hydroxy-6-(Hydroxymethyl)-4-[[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-6-[[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxymethyl]-2-[[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-3-Tetrahydropyranyl]Acetamide; N-[(2S,3R,4R,5S,6R)-4,5-Bis[[(2S,3S,4S,5R,6R)-3-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-5-Hydroxy-6-Methylol-4-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy]-6-[[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-3-Yl]Acetamide
• Molecular Formula: C₆₂H₁₀₄N₄O₄₆
• Molecular Weight: 1641.50
• CAS Registry Number: 129830-00-8
• SMILES: [C@H]8(O[C@H]2O[C@@H]([C@@H](O)[C@H](O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO)[C@@H]2O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)C)CO)CO)[C@H](O[C@H]5O[C@@H]([C@@H](O)[C@H](O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)[C@@H]5O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6NC(=O)C)CO)CO)[C@H](O[C@@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@@H]7O)CO)[C@@H]8NC(=O)C)CO[C@@H]9O[C@@H]([C@@H](O)[C@H](O)[C@H]9NC(=O)C)CO
• InChI: 1S/C62H104N4O46/c1-14(75)63-27-39(87)31(79)18(5-67)97-54(27)96-13-26-48(106-61-52(110-55-28(64-15(2)76)40(88)32(80)19(6-68)98-55)50(37(85)24(11-73)103-61)108-58-45(93)42(90)34(82)21(8-70)100-58)49(30(66-17(4)78)57(105-26)112-60-47(95)44(92)36(84)23(10-72)102-60)107-62-53(111-56-29(65-16(3)77)41(89)33(81)20(7-69)99-56)51(38(86)25(12-74)104-62)109-59-46(94)43(91)35(83)22(9-71)101-59/h18-62,67-74,79-95H,5-13H2,1-4H3,(H,63,75)(H,64,76)(H,65,77)(H,66,78)/t18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34+,35+,36-,37-,38-,39-,40-,41-,42+,43+,44+,45-,46-,47+,48-,49-,50+,51+,52+,53+,54-,55+,56+,57+,58+,59+,60+,61-,62-/m1/s1
• InChIKey: XPRHPZXUKNVBNV-HDGDYMOSSA-N