Chem
J-GLOBAL ID：200907032235119160   Nikkaji number：J2.112.554G

1-O-Methyl-2-O-[6-O-acetyl-3-O,4-O-dibenzyl-2-(acetylamino)-2-deoxy-α-D-glucopyranosyl]-4-O-[4-O-(2-O,3-O,4-O,6-O-tetrabenzyl-β-D-galactopyranosyl)-2-O,3-O,6-O-tribenzyl-α-D-glucopyranosyl]-6-O,7-O-diacetyl-α-L-glycero-D-manno-heptopyranose

1-O-メチル-2-O-[6-O-アセチル-3-O,4-O-ジベンジル-2-(アセチルアミノ)-2-デオキシ-α-D-グルコピラノシル]-4-O-[4-O-(2-O,3-O,4-O,6-O-テトラベンジル-β-D-ガラクトピラノシル)-2-O,3-O,6-O-トリベンジル-α-D-グルコピラノシル]-6-O,7-O-ジアセチル-α-L-glycero-D-manno-ヘプトピラノース
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C97H109NO25
Molecular formula furigana： C97-H109-N-O25
Molecular weight： 1688.921
InChI： InChI=1S/C97H109NO25/c1-64(99)98-81-87(111-55-72-41-23-10-24-42-72)83(109-53-70-37-19-8-20-38-70)79(62-107-65(2)100)117-94(81)123-89-82(103)88(85(120-95(89)104-5)80(116-67(4)102)63-108-66(3)101)122-97-93(115-59-76-49-31-14-32-50-76)91(113-57-74-45-27-12-28-46-74)86(78(119-97)61-106-52-69-35-17-7-18-36-69)121-96-92(114-58-75-47-29-13-30-48-75)90(112-56-73-43-25-11-26-44-73)84(110-54-71-39-21-9-22-40-71)77(118-96)60-105-51-68-33-15-6-16-34-68/h6-50,77-97,103H,51-63H2,1-5H3,(H,98,99)/t77-,78-,79-,80+,81-,82+,83-,84+,85-,86-,87-,88+,89+,90+,91+,92-,93-,94-,95-,96+,97-/m1/s1
InChI key： RLSQVUUFGDLWHK-XZWANTRJSA-N
SMILES： CO[C@@H]1O[C@H]([C@H](COC(=O)C)OC(=O)C)[C@@H](O[C@H]2O[C@H](COCc3ccccc3)[C@@H](O[C@@H]3O[C@H](COCc4ccccc4)[C@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@H](O)[C@@H]1O[C@H]1O[C@H](COC(=O)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1NC(=O)C
Systematic name  (3)：
  • 1-O-メチル-2-O-[6-O-アセチル-3-O,4-O-ジベンジル-2-(アセチルアミノ)-2-デオキシ-α-D-グルコピラノシル]-4-O-[4-O-(2-O,3-O,4-O,6-O-テトラベンジル-β-D-ガラクトピラノシル)-2-O,3-O,6-O-トリベンジル-α-D-グルコピラノシル]-6-O,7-O-ジアセチル-α-L-glycero-D-manno-ヘプトピラノース
  • (1S)-2-(アセチルオキシ)-1-[(2R,3S,4S,5S,6R)-5-{[(2R,3R,4R,5S,6R)-6-[(アセチルオキシ)メチル]-4,5-ビス(ベンジルオキシ)-3-アセトアミドオキサン-2-イル]オキシ}-3-{[(2R,3R,4S,5R,6R)-3,4-ビス(ベンジルオキシ)-6-[(ベンジルオキシ)メチル]-5-{[(2S,3R,4S,5S,6R)-3,4,5-トリス(ベンジルオキシ)-6-[(ベンジルオキシ)メチル]オキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-4-ヒドロキシ-6-メトキシオキサン-2-イル]エチル アセタート
  • (1S)-2-(acetyloxy)-1-[(2R,3S,4S,5S,6R)-5-{[(2R,3R,4R,5S,6R)-6-[(acetyloxy)methyl]-4,5-bis(benzyloxy)-3-acetamidooxan-2-yl]oxy}-3-{[(2R,3R,4S,5R,6R)-3,4-bis(benzyloxy)-6-[(benzyloxy)methyl]-5-{[(2S,3R,4S,5S,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-methoxyoxan-2-yl]ethyl acetate
Other name (1)：
  • 1-O-Methyl-2-O-[6-O-acetyl-3-O,4-O-dibenzyl-2-(acetylamino)-2-deoxy-α-D-glucopyranosyl]-4-O-[4-O-(2-O,3-O,4-O,6-O-tetrabenzyl-β-D-galactopyranosyl)-2-O,3-O,6-O-tribenzyl-α-D-glucopyranosyl]-6-O,7-O-diacetyl-α-L-glycero-D-manno-heptopyranose
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