Chem
J-GLOBAL ID：200907032053687473   Nikkaji number：J1.944.441D

Neoschaftoside

ネオスカフトシド
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： C26H28O14
Molecular formula furigana： C26-H28-O14
Molecular weight： 564.496
InChI： InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)15-19(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-24(14)16(20(15)34)25-22(36)17(31)11(30)7-38-25/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25+,26-/m0/s1
InChI key： MMDUKUSNQNWVET-LQYCTPBQSA-N
SMILES： OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)c([C@H]2OC[C@H](O)[C@H](O)[C@H]2O)c2oc(cc(=O)c2c1O)c1ccc(O)cc1
Systematic name  (3)：
  • 6-β-D-グルコピラノシル-8-β-L-アラビノピラノシル-5,7,4′-トリヒドロキシフラボン
  • 5,7-ジヒドロキシ-2-(4-ヒドロキシフェニル)-6-[(2S,3R,4R,5S,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]-8-[(2R,3R,4S,5S)-3,4,5-トリヒドロキシオキサン-2-イル]-4H-クロメン-4-オン
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]-4H-chromen-4-one
Other name (3)：
  • 6-β-D-Glucopyranosyl-8-β-L-arabinopyranosyl-5,7,4′-trihydroxyflavone
  • ネオスカフトシド
  • Neoschaftoside
KEGG COMPOUND： C10110
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