Chem
J-GLOBAL ID：200907080095286066   Nikkaji number：J2.044.309J

4-O-[4-O-[6-O-[2-O-(β-D-Galactopyranosyl)-α-D-xylofuranosyl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]-β-D-glucopyranose

4-O-[4-O-[6-O-[2-O-(β-D-ガラクトピラノシル)-α-D-キシロフラノシル]-β-D-グルコピラノシル]-β-D-グルコピラノシル]-β-D-グルコピラノース
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： C29H50O25
Molecular formula furigana： C29-H50-O25
Molecular weight： 798.694
InChI： InChI=1S/C29H50O25/c30-1-6-11(34)14(37)19(42)26(48-6)54-24-13(36)7(2-31)49-29(24)46-5-10-12(35)15(38)20(43)27(51-10)53-23-9(4-33)50-28(21(44)17(23)40)52-22-8(3-32)47-25(45)18(41)16(22)39/h6-45H,1-5H2/t6-,7-,8-,9-,10-,11+,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,28+,29+/m1/s1
InChI key： ATKGVVGTCNYIAS-MPYIYLIASA-N
SMILES： OC[C@H]1O[C@H](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O
Systematic name  (3)：
  • 4-O-[4-O-[6-O-[2-O-(β-D-ガラクトピラノシル)-α-D-キシロフラノシル]-β-D-グルコピラノシル]-β-D-グルコピラノシル]-β-D-グルコピラノース
  • (2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6S)-4,5-ジヒドロキシ-2-(ヒドロキシメチル)-6-{[(2R,3S,4R,5R,6R)-4,5,6-トリヒドロキシ-2-(ヒドロキシメチル)オキサン-3-イル]オキシ}オキサン-3-イル]オキシ}-6-({[(2S,3R,4S,5R)-4-ヒドロキシ-5-(ヒドロキシメチル)-3-{[(2S,3R,4S,5R,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}オキソラン-2-イル]オキシ}メチル)オキサン-3,4,5-トリオール
  • (2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-6-({[(2S,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol
Other name (1)：
  • 4-O-[4-O-[6-O-[2-O-(β-D-Galactopyranosyl)-α-D-xylofuranosyl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]-β-D-glucopyranose
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