N-[(3S,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]oxan-3-yl]acetamide
Molecular Formula:
C54H91N3O39
InChI: InChI=1/C54H91N3O39/c1-13-27(66)35(74)39(78)50(85-13)83-12-24-45(28(67)17(10-82-24)55-14(2)63)92-48-25(56-15(3)64)33(72)44(22(9-62)89-48)94-53-42(81)46(95-52-41(80)37(76)30(69)19(6-59)87-52)32(71)23(91-53)11-84-54-47(38(77)31(70)20(7-60)88-54)96-49-26(57-16(4)65)34(73)43(21(8-61)90-49)93-51-40(79)36(75)29(68)18(5-58)86-51/h13,17-54,58-62,66-81H,5-12H2,1-4H3,(H,55,63)(H,56,64)(H,57,65)/t13-,17-,18+,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-/m0/s1/f/h55-57H
InChIKey: InChIKey=OLBPOAWNRBMGFF-YFSXMFIADP
SMILES: CC1C(C(C(C(O1)OCC2C(C(C(CO2)NC(=O)C)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)O)O)O)NC(=O)C)O)OC8C(C(C(C(O8)CO)O)O)O)O)O)NC(=O)C)O)O)O
Names:
GAL-(1-4)NAG-(1-2)MAN-(1-6)BMA-(1-4)NAG-(1-4)NAG-(6-1)AFL-(4,3-1)MAN
N-[(3S,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]oxan-3-yl]acetamide
Registries:
PubChem CID 5287625
PubChem ID 11534251
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