Chem
J-GLOBAL ID：200907048911504025   Nikkaji number：J1.629.106D

4-O-[4-O-[4-[[(1S,4R,5S,6S)-4,5,6-Trihydroxy-3-hydroxymethyl-2-cyclohexene-1-yl]amino]-4,6-dideoxy-α-D-glucopyranosyl]-α-D-glucopyranosyl]-β-D-glucopyranose

4-O-[4-O-[4-[[(1S,4R,5S,6S)-4,5,6-トリヒドロキシ-3-ヒドロキシメチル-2-シクロヘキセン-1-イル]アミノ]-4,6-ジデオキシ-α-D-グルコピラノシル]-α-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： C25H43NO18
Molecular formula furigana： C25-H43-N-O18
Molecular weight： 645.608
InChI： InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-/m1/s1
InChI key： XUFXOAAUWZOOIT-SXARVLRPSA-N
SMILES： C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 4-O-[4-O-[4-[[(1S,4R,5S,6S)-4,5,6-トリヒドロキシ-3-ヒドロキシメチル-2-シクロヘキセン-1-イル]アミノ]-4,6-ジデオキシ-α-D-グルコピラノシル]-α-D-グルコピラノシル]-β-D-グルコピラノース
  • (2R,3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5S,6R)-3,4-ジヒドロキシ-6-メチル-5-{[(1S,4R,5S,6S)-4,5,6-トリヒドロキシ-3-(ヒドロキシメチル)シクロヘキサ-2-エン-1-イル]アミノ}オキサン-2-イル]オキシ}-3,4-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-6-(ヒドロキシメチル)オキサン-2,3,4-トリオール
  • (2R,3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,3,4-triol
Other name (1)：
  • 4-O-[4-O-[4-[[(1S,4R,5S,6S)-4,5,6-Trihydroxy-3-hydroxymethyl-2-cyclohexene-1-yl]amino]-4,6-dideoxy-α-D-glucopyranosyl]-α-D-glucopyranosyl]-β-D-glucopyranose
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