Chem
J-GLOBAL ID：200907090599455778   Nikkaji number：J1.055.650C

Seguinoside D

セグイノシドD
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： C24H28O13
Molecular formula furigana： C24-H28-O13
Molecular weight： 524.475
InChI： InChI=1S/C24H28O13/c25-13-3-1-12(2-4-13)21(31)34-10-24(32)11-35-23(20(24)30)33-9-16-17(27)18(28)19(29)22(37-16)36-15-7-5-14(26)6-8-15/h1-8,16-20,22-23,25-30,32H,9-11H2/t16-,17-,18+,19-,20+,22-,23-,24-/m1/s1
InChI key： AEJRUXYXEKMWAM-HVZVMQSSSA-N
SMILES： O[C@H]1[C@H](OC[C@H]2O[C@@H](Oc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)OC[C@]1(O)COC(=O)c1ccc(O)cc1
Systematic name  (3)：
  • 4-ヒドロキシフェニル6-O-[5-O-(4-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
  • [(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-hydroxybenzoate
Other name (3)：
  • 4-Hydroxyphenyl 6-O-[5-O-(4-hydroxybenzoyl)-D-apio-β-D-furanosyl]-β-D-glucopyranoside
  • セグイノシドD
  • Seguinoside D
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