Chem
J-GLOBAL ID：200907053187913353   Nikkaji number：J500.773I

Suffruticoside A

スフルチコシドA
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： C27H32O16
Molecular formula furigana： C27-H32-O16
Molecular weight： 612.537
InChI： InChI=1S/C27H32O16/c1-11(28)14-4-3-13(38-2)7-17(14)42-25-22(34)21(33)20(32)18(43-25)8-39-26-23(35)27(37,10-41-26)9-40-24(36)12-5-15(29)19(31)16(30)6-12/h3-7,18,20-23,25-26,29-35,37H,8-10H2,1-2H3/t18-,20-,21+,22-,23+,25-,26-,27-/m1/s1
InChI key： QNVPMKAFCVXMFH-NDDHQHNUSA-N
SMILES： COc1ccc(C(=O)C)c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(COC(=O)c4cc(O)c(O)c(O)c4)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c1
Systematic name  (4)：
  • 2-アセチル-5-メトキシフェニル6-O-[5-O-(3,4,5-トリヒドロキシベンゾイル)-D-アピオ-β-D-フラノシル]-β-D-グルコピラノシド
  • 2′-[6-O-(5-O-ガロイル-D-アピオ-β-D-フラノシル)-β-D-グルコピラノシルオキシ]-4′-メトキシアセトフェノン
  • [(3S,4R,5R)-5-{[(2R,3S,4S,5R,6S)-6-(2-アセチル-5-メトキシフェノキシ)-3,4,5-トリヒドロキシオキサン-2-イル]メトキシ}-3,4-ジヒドロキシオキソラン-3-イル]メチル 3,4,5-トリヒドロキシベンゾアート
  • [(3S,4R,5R)-5-{[(2R,3S,4S,5R,6S)-6-(2-acetyl-5-methoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-3,4-dihydroxyoxolan-3-yl]methyl 3,4,5-trihydroxybenzoate
Other name (4)：
  • スフルチコシドA
  • Suffruticoside A
  • 2-Acetyl-5-methoxyphenyl 6-O-[5-O-(3,4,5-trihydroxybenzoyl)-D-apio-β-D-furanosyl]-β-D-glucopyranoside
  • 2′-[6-O-(5-O-Galloyl-D-apio-β-D-furanosyl)-β-D-glucopyranosyloxy]-4′-methoxyacetophenone
Thsaurus map：
Thesaurus Map

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