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PRD_900054

Summary
Name:6-deoxy-alpha-L-galactopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)]-2-(ace tylamino)-2-deoxy-beta-D-glucopyranose
Formula:C26 H45 N O19
Fomular weight:675.631
Component type:saccharide
Polymer sequences:NAG, GAL, FUC, FUC
Non-polymer components:
BIRD class:Antigen
Represented as:branched
Description:oligosaccharide with branches

ProgramVersionName
ACDLabs12.016-deoxy-alpha-L-galactopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)]-2-(ace tylamino)-2-deoxy-beta-D-glucopyranose
OpenEye OEToolkits2.0.7~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3-[(2~{S}, 3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-[(2~{S},3~{S},4~{R} ,5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-oxan-3-yl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C2(C(OC1C(O)C(O)C(O)C(O1)C)C(O)C(O)C(O2)CO)OC3C(C(C(OC3CO)O)NC(C)=O)OC4C(C(O)C(O)C(C)O4)O
InChIInChI1.03InChI=1S/C26H45NO19/c1-6-12(31)15(34)18(37)24(40-6)45-21-11(27-8(3)30)23(39)42-10(5-29)20(21)44-26-22(17(36)14(33)9(4-2 8)43-26)46-25-19(38)16(35)13(32)7(2)41-25/h6-7,9-26,28-29,31-39H,4-5H2,1-3H3,(H,27,30)/t6-,7-,9+,10+,11+,12+,13+,14-,15+ ,16+,17-,18-,19-,20+,21+,22+,23+,24-,25-,26-/m0/s1
InChIKeyInChI1.03SRHNADOZAAWYLV-XLMUYGLTSA-N
SMILES_CANONICALCACTVS3.385C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[C@@H]4O[C@ @H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@H](O)[C@@H]1O
SMILESCACTVS3.385C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2O[CH]3[CH](CO)O[CH](O)[CH](NC(C)=O)[CH]3O[CH]4O[CH](C)[CH](O)[CH](O)[CH]4 O)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits2.0.7C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O[C@H] 4[C@H]([C@@H]([C@@H]([C@@H](O4)C)O)O)O)CO)O)NC(=O)C)O)O)O
SMILESOpenEye OEToolkits2.0.7CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)C)O)O)O)CO)O)NC(=O)C)O)O)O

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