Chem
J-GLOBAL ID：200907012351504291   Nikkaji number：J1.038.450H

Leonuriside B

レオヌリシドB
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： C25H38O16
Molecular formula furigana： C25-H38-O16
Molecular weight： 594.563
InChI： InChI=1S/C25H38O16/c1-9-15(30)18(33)22(41-23-19(34)16(31)13(29)8-37-23)25(38-9)40-21-17(32)14(7-26)39-24(20(21)35)36-5-4-10-2-3-11(27)12(28)6-10/h2-3,6,9,13-35H,4-5,7-8H2,1H3/t9-,13-,14+,15-,16-,17+,18+,19+,20+,21-,22+,23-,24+,25-/m0/s1
InChI key： NRAHCARXGIIWGH-IYDDFRIGSA-N
SMILES： C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](OCCc3ccc(O)c(O)c3)[C@@H]2O)[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 2-(3,4-ジヒドロキシフェニル)エチル3-O-[2-O-(α-L-アラビノピラノシル)α-L-ラムノピラノシル]-β-D-グルコピラノシド
  • (2S,3R,4S,5S)-2-{[(2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5R,6R)-2-[2-(3,4-ジヒドロキシフェニル)エトキシ]-3,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-4-イル]オキシ}-4,5-ジヒドロキシ-6-メチルオキサン-3-イル]オキシ}オキサン-3,4,5-トリオール
  • (2S,3R,4S,5S)-2-{[(2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl]oxy}oxane-3,4,5-triol
Other name (3)：
  • 2-(3,4-Dihydroxyphenyl)ethyl 3-O-[2-O-(α-L-arabinopyranosyl)α-L-rhamnopyranosyl]-β-D-glucopyranoside
  • レオヌリシドB
  • Leonuriside B
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