Chem
J-GLOBAL ID：200907077656492824   Nikkaji number：J1.055.652J

Seguinoside F

セグイノシドF
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： C26H32O15
Molecular formula furigana： C26-H32-O15
Molecular weight： 584.527
InChI： InChI=1S/C26H32O15/c1-35-15-7-12(8-16(36-2)18(15)28)23(33)38-10-26(34)11-39-25(22(26)32)37-9-17-19(29)20(30)21(31)24(41-17)40-14-5-3-13(27)4-6-14/h3-8,17,19-22,24-25,27-32,34H,9-11H2,1-2H3/t17-,19-,20+,21-,22+,24-,25-,26-/m1/s1
InChI key： BEERELVLQBYFTA-PKYRIGOOSA-N
SMILES： COc1cc(cc(OC)c1O)C(=O)OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](Oc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
Systematic name  (3)：
  • 4-ヒドロキシフェニル6-O-[5-O-(4-ヒドロキシ-3,5-ジメトキシベンゾイル)-D-アピオ-β-D-フラノシル]-β-D-グルコピラノシド
  • [(3S,4R,5R)-3,4-ジヒドロキシ-5-{[(2R,3S,4S,5R,6S)-3,4,5-トリヒドロキシ-6-(4-ヒドロキシフェノキシ)オキサン-2-イル]メトキシ}オキソラン-3-イル]メチル 4-ヒドロキシ-3,5-ジメトキシベンゾアート
  • [(3S,4R,5R)-3,4-dihydroxy-5-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methoxy}oxolan-3-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate
Other name (3)：
  • 4-Hydroxyphenyl 6-O-[5-O-(4-hydroxy-3,5-dimethoxybenzoyl)-D-apio-β-D-furanosyl]-β-D-glucopyranoside
  • セグイノシドF
  • Seguinoside F
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