Chem
J-GLOBAL ID：200907058381878951   Nikkaji number：J856.125G

Notoginsenic acid β-sophoroside

ノトギンセン酸β-ソホロシド
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： C22H32O13
Molecular formula furigana： C22-H32-O13
Molecular weight： 504.485
InChI： InChI=1S/C22H32O13/c23-10-12-15(27)17(29)19(31)21(33-12)35-20-18(30)16(28)13(11-24)34-22(20)32-9-7-5-3-1-2-4-6-8-14(25)26/h12-13,15-24,27-31H,5-11H2,(H,25,26)/t12-,13-,15-,16-,17+,18+,19-,20-,21+,22-/m1/s1
InChI key： ZYTJYTFHMURSAB-MSGOSAFOSA-N
SMILES： OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OCCCC#CC#CCCC(=O)O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 10-(2-O-β-D-グルコピラノシル-β-D-グルコピラノシルオキシ)-4,6-デカジイン酸
  • 10-{[(2R,3R,4S,5S,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-3-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}オキサン-2-イル]オキシ}デカ-4,6-ジイン酸
  • 10-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}deca-4,6-diynoic acid
Other name (3)：
  • ノトギンセン酸β-ソホロシド
  • Notoginsenic acid β-sophoroside
  • 10-(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyloxy)-4,6-decadiynoic acid
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