Chem
J-GLOBAL ID:200907007980854390
Nikkaji number:J2.044.311A
4-O-[4-O-[6-O-[2-O-(α-L-Arabinofuranosyl)-α-L-xylofuranosyl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]-β-D-glucopyranose
4-O-[4-O-[6-O-[2-O-(α-L-アラビノフラノシル)-α-L-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
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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:
C28 H48 O24
Molecular formula furigana:
C28-H48-O24
Molecular weight:
768.668
InChI:
InChI=1S/C28H48O24/c29-1-6-11(33)18(40)25(46-6)52-23-13(35)7(2-30)47-28(23)44-5-10-12(34)14(36)19(41)26(49-10)51-22-9(4-32)48-27(20(42)16(22)38)50-21-8(3-31)45-24(43)17(39)15(21)37/h6-43H,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+/m0/s1
InChI key:
MXJAJKNDQIVPPU-IMJKHFCISA-N
SMILES:
OC[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](CO)O[C@H]2OC[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]1O
Systematic name (3):
4-O-[4-O-[6-O-[2-O-(α-L-アラビノフラノシル)-α-L-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-({[(2R,3S,4R,5S)-3-{[(2S,3R,4R,5S)-3,4-ジヒドロキシ-5-(ヒドロキシメチル)オキソラン-2-イル]オキシ}-4-ヒドロキシ-5-(ヒドロキシメチル)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-({[(2R,3S,4R,5S)-3-{[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol
Other name (1):
4-O-[4-O-[6-O-[2-O-(α-L-Arabinofuranosyl)-α-L-xylofuranosyl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]-β-D-glucopyranose
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