Chem
J-GLOBAL ID：200907055006742610   Nikkaji number：J711.397H

Cistanoside A

シスタノシドA
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： C36H48O20
Molecular formula furigana： C36-H48-O20
Molecular weight： 800.760
InChI： InChI=1S/C36H48O20/c1-15-25(42)27(44)30(47)36(52-15)56-33-31(48)35(50-10-9-17-4-7-19(39)21(12-17)49-2)54-23(14-51-34-29(46)28(45)26(43)22(13-37)53-34)32(33)55-24(41)8-5-16-3-6-18(38)20(40)11-16/h3-8,11-12,15,22-23,25-40,42-48H,9-10,13-14H2,1-2H3/b8-5+/t15-,22+,23+,25-,26+,27+,28-,29+,30+,31+,32+,33+,34+,35+,36-/m0/s1
InChI key： LOGNFAUMIGACHZ-WEDRDYHSSA-N
SMILES： COc1cc(CCO[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](OC(=O)/C=C/c3ccc(O)c(O)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  (4)：
  • 2-(3-メトキシ-4-ヒドロキシフェニル)エチル3-O-(α-L-ラムノピラノシル)-4-O-[(E)-3-(3,4-ジヒドロキシフェニル)アクリロイル]-6-O-β-D-グルコピラノシル-β-D-グルコピラノシド
  • 1-O-[2-(3-メトキシ-4-ヒドロキシフェニル)エチル]-3-O-(6-デオキシ-α-L-マンノピラノシル)-4-O-[(E)-3-(3,4-ジヒドロキシフェニル)アクリロイル]-6-O-(β-D-グルコピラノシル)-β-D-グルコピラノース
  • (2R,3R,4R,5R,6R)-5-ヒドロキシ-6-[2-(4-ヒドロキシ-3-メトキシフェニル)エトキシ]-2-({[(2R,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}メチル)-4-{[(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}オキサン-3-イル (2E)-3-(3,4-ジヒドロキシフェニル)プロパ-2-エノアート
  • (2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-2-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Other name (4)：
  • シスタノシドA
  • Cistanoside A
  • 2-(3-Methoxy-4-hydroxyphenyl)ethyl 3-O-(α-L-rhamnopyranosyl)-4-O-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]-6-O-β-D-glucopyranosyl-β-D-glucopyranoside
  • 1-O-[2-(3-Methoxy-4-hydroxyphenyl)ethyl]-3-O-(6-deoxy-α-L-mannopyranosyl)-4-O-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]-6-O-(β-D-glucopyranosyl)-β-D-glucopyranose
CAS registry number： 93236-42-1
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