Chem
J-GLOBAL ID：200907059208270952   Nikkaji number：J1.923.182H

Pyrroside B

ピルロシドB
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： C26H30O14
Molecular formula furigana： C26-H30-O14
Molecular weight： 566.512
InChI： InChI=1S/C26H30O14/c27-9-26(35)10-37-25(23(26)34)36-8-18-20(31)21(32)22(33)24(40-18)38-13-5-14(29)19-15(30)7-16(39-17(19)6-13)11-1-3-12(28)4-2-11/h1-6,16,18,20-25,27-29,31-35H,7-10H2/t16-,18+,20+,21-,22+,23-,24+,25+,26+/m0/s1
InChI key： NWNGXQLQGVWVHC-URWLGXSFSA-N
SMILES： OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4C(=O)C[C@H](Oc4c3)c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
Systematic name  (3)：
  • (2S)-2-(4-ヒドロキシフェニル)-5-ヒドロキシ-7-[6-O-(D-アピオ-β-D-フラノシル)-β-D-グルコピラノシルオキシ]-2,3-ジヒドロ-4H-1-ベンゾピラン-4-オン
  • (2S)-7-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R)-3,4-ジヒドロキシ-4-(ヒドロキシメチル)オキソラン-2-イル]オキシ}メチル)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}-5-ヒドロキシ-2-(4-ヒドロキシフェニル)-3,4-ジヒドロ-2H-1-ベンゾピラン-4-オン
  • (2S)-7-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
Other name (3)：
  • (2S)-2-(4-Hydroxyphenyl)-5-hydroxy-7-[6-O-(D-apio-β-D-furanosyl)-β-D-glucopyranosyloxy]-2,3-dihydro-4H-1-benzopyran-4-one
  • Pyrroside B
  • ピルロシドB
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