Chem
J-GLOBAL ID：200907058498563242   Nikkaji number：J1.190.178F

4-(Benzylthio)butyl 4-O-(4-O-α-D-galactopyranosyl-β-D-galactopyranosyl)-β-D-glucopyranoside

4-(ベンジルチオ)ブチル4-O-(4-O-α-D-ガラクトピラノシル-β-D-ガラクトピラノシル)-β-D-グルコピラノシド
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： C29H46O16S
Molecular formula furigana： C29-H46-O16-S
Molecular weight： 682.730
InChI： InChI=1S/C29H46O16S/c30-10-15-18(33)19(34)22(37)28(41-15)44-26-17(12-32)43-29(24(39)21(26)36)45-25-16(11-31)42-27(23(38)20(25)35)40-8-4-5-9-46-13-14-6-2-1-3-7-14/h1-3,6-7,15-39H,4-5,8-13H2/t15-,16-,17-,18+,19+,20-,21-,22-,23-,24-,25-,26+,27-,28-,29+/m1/s1
InChI key： FDZIUHHNWWIPQF-WQUPCKQYSA-N
SMILES： OC[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](OCCCCSCc4ccccc4)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O
Systematic name  (4)：
  • 4-(ベンジルチオ)ブチル4-O-[4-O-(α-D-ガラクトピラノシル)-β-D-ガラクトピラノシル]-β-D-グルコピラノシド
  • 4-(ベンジルチオ)ブチル4-O-(4-O-α-D-ガラクトピラノシル-β-D-ガラクトピラノシル)-β-D-グルコピラノシド
  • (2R,3R,4S,5R,6R)-2-{[(2R,3R,4R,5R,6S)-6-{[(2R,3S,4R,5R,6R)-6-[4-(ベンジルスルファニル)ブトキシ]-4,5-ジヒドロキシ-2-(ヒドロキシメチル)オキサン-3-イル]オキシ}-4,5-ジヒドロキシ-2-(ヒドロキシメチル)オキサン-3-イル]オキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2R,3R,4S,5R,6R)-2-{[(2R,3R,4R,5R,6S)-6-{[(2R,3S,4R,5R,6R)-6-[4-(benzylsulfanyl)butoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (2)：
  • 4-(Benzylthio)butyl 4-O-[4-O-(α-D-galactopyranosyl)-β-D-galactopyranosyl]-β-D-glucopyranoside
  • 4-(Benzylthio)butyl 4-O-(4-O-α-D-galactopyranosyl-β-D-galactopyranosyl)-β-D-glucopyranoside
Thsaurus map：
Thesaurus Map

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