Chem
J-GLOBAL ID：200907042772877549   Nikkaji number：J1.055.651A

Seguinoside E

セグイノシドE
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： C25H30O14
Molecular formula furigana： C25-H30-O14
Molecular weight： 554.501
InChI： InChI=1S/C25H30O14/c1-34-16-8-12(2-7-15(16)27)22(32)36-10-25(33)11-37-24(21(25)31)35-9-17-18(28)19(29)20(30)23(39-17)38-14-5-3-13(26)4-6-14/h2-8,17-21,23-24,26-31,33H,9-11H2,1H3/t17-,18-,19+,20-,21+,23-,24-,25-/m1/s1
InChI key： QDKRARVDINCENG-OIHDBLEMSA-N
SMILES： COc1cc(ccc1O)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-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-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-methoxybenzoate
Other name (3)：
  • 4-Hydroxyphenyl 6-O-[5-O-(4-hydroxy-3-methoxybenzoyl)-D-apio-β-D-furanosyl]-β-D-glucopyranoside
  • セグイノシドE
  • Seguinoside E
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