Chem
J-GLOBAL ID：200907083469892940   Nikkaji number：J1.289.320E

Astrasikokioside I

アストラシコキオシドI
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： C39H50O23
Molecular formula furigana： C39-H50-O23
Molecular weight： 886.806
InChI： InChI=1S/C39H50O23/c1-11-21(42)26(47)30(51)36(55-11)54-10-19-24(45)29(50)35(62-38-32(53)28(49)23(44)13(3)57-38)39(60-19)61-34-25(46)20-17(41)8-16(58-37-31(52)27(48)22(43)12(2)56-37)9-18(20)59-33(34)14-5-4-6-15(40)7-14/h4-9,11-13,19,21-24,26-32,35-45,47-53H,10H2,1-3H3/t11-,12-,13-,19+,21-,22-,23-,24-,26+,27+,28+,29-,30+,31+,32+,35+,36+,37-,38-,39-/m0/s1
InChI key： SYXZAIIITZJBJQ-GNFBCESASA-N
SMILES： C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc(O)c4c3=O)c3cccc(O)c3)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 3′,5-ジヒドロキシ-3-[(2-O,6-O-ジ-α-L-ラムノピラノシル-β-D-ガラクトピラノシル)オキシ]-7-(α-L-ラムノピラノシルオキシ)フラボン
  • 3-{[(2S,3R,4S,5R,6R)-4,5-ジヒドロキシ-3-{[(2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}-6-({[(2R,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}メチル)オキサン-2-イル]オキシ}-5-ヒドロキシ-2-(3-ヒドロキシフェニル)-7-{[(2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}-4H-クロメン-4-オン
  • 3-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-5-hydroxy-2-(3-hydroxyphenyl)-7-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-4-one
Other name (3)：
  • 3′,5-Dihydroxy-3-[(2-O,6-O-di-α-L-rhamnopyranosyl-β-D-galactopyranosyl)oxy]-7-(α-L-rhamnopyranosyloxy)flavone
  • アストラシコキオシドI
  • Astrasikokioside I
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