Chem
J-GLOBAL ID：200907054806369031   Nikkaji number：J1.715.407I

3′-Methoxy-4′,5-dihydroxy-3-[2-O,6-O-bis(α-L-rhamnopyranosyl)-4-O-(3-methoxy-4-hydroxy-trans-cinnamoyl)-β-D-galactopyranosyloxy]-7-(α-L-rhamnopyranosyloxy)flavone

3′-メトキシ-4′,5-ジヒドロキシ-3-[2-O,6-O-ビス(α-L-ラムノピラノシル)-4-O-(3-メトキシ-4-ヒドロキシ-trans-シンナモイル)-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
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： C50H60O27
Molecular formula furigana： C50-H60-O27
Molecular weight： 1093.003
InChI： InChI=1S/C50H60O27/c1-17-32(55)36(59)39(62)47(69-17)68-16-29-44(75-30(54)11-7-20-6-9-23(51)26(12-20)66-4)42(65)46(77-49-41(64)38(61)34(57)19(3)71-49)50(74-29)76-45-35(58)31-25(53)14-22(72-48-40(63)37(60)33(56)18(2)70-48)15-28(31)73-43(45)21-8-10-24(52)27(13-21)67-5/h6-15,17-19,29,32-34,36-42,44,46-53,55-57,59-65H,16H2,1-5H3/b11-7+/t17-,18-,19-,29+,32-,33-,34-,36+,37+,38+,39+,40+,41+,42-,44-,46+,47+,48-,49-,50-/m0/s1
InChI key： JXTAJWVKBGEWLQ-BTFJBBAASA-N
SMILES： COc1cc(/C=C/C(=O)O[C@H]2[C@@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)O[C@@H](Oc3c(oc4cc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc(O)c4c3=O)c3ccc(O)c(OC)c3)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)ccc1O
Systematic name  (3)：
  • 3′-メトキシ-4′,5-ジヒドロキシ-3-[2-O,6-O-ビス(α-L-ラムノピラノシル)-4-O-(3-メトキシ-4-ヒドロキシ-trans-シンナモイル)-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
  • (2R,3R,4S,5R,6S)-4-ヒドロキシ-6-{[5-ヒドロキシ-2-(4-ヒドロキシ-3-メトキシフェニル)-4-オキソ-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-3-イル]オキシ}-5-{[(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}-2-({[(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-3-イル (2E)-3-(4-ヒドロキシ-3-メトキシフェニル)プロパ-2-エノアート
  • (2R,3R,4S,5R,6S)-4-hydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-7-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-3-yl]oxy}-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-2-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Other name (1)：
  • 3′-Methoxy-4′,5-dihydroxy-3-[2-O,6-O-bis(α-L-rhamnopyranosyl)-4-O-(3-methoxy-4-hydroxy-trans-cinnamoyl)-β-D-galactopyranosyloxy]-7-(α-L-rhamnopyranosyloxy)flavone
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