Chem
J-GLOBAL ID：200907045976066867   Nikkaji number：J711.398F

Tubuloside A

ツブロシド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： C37H48O21
Molecular formula furigana： C37-H48-O21
Molecular weight： 828.770
InChI： InChI=1S/C37H48O21/c1-15-26(45)28(47)31(50)36(53-15)58-33-32(57-25(44)8-5-17-3-6-19(40)21(42)11-17)24(14-52-35-30(49)29(48)27(46)23(13-38)55-35)56-37(34(33)54-16(2)39)51-10-9-18-4-7-20(41)22(43)12-18/h3-8,11-12,15,23-24,26-38,40-43,45-50H,9-10,13-14H2,1-2H3/b8-5+/t15-,23+,24+,26-,27+,28+,29-,30+,31+,32+,33-,34+,35+,36-,37+/m0/s1
InChI key： KZLDMAIXPXOZCX-BBQAUMBQSA-N
SMILES： C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@@H](OCCc3ccc(O)c(O)c3)[C@@H]2OC(=O)C)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (4)：
  • 2-(3,4-ジヒドロキシフェニル)エチル2-O-アセチル-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-(3,4-ジヒドロキシフェニル)エチル]-2-O-アセチル-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,4S,5R,6R)-5-(アセチルオキシ)-6-[2-(3,4-ジヒドロキシフェニル)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,4S,5R,6R)-5-(acetyloxy)-6-[2-(3,4-dihydroxyphenyl)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)：
  • ツブロシドA
  • Tubuloside A
  • 2-(3,4-Dihydroxyphenyl)ethyl 2-O-acetyl-3-O-(α-L-rhamnopyranosyl)-4-O-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]-6-O-β-D-glucopyranosyl-β-D-glucopyranoside
  • 1-O-[2-(3,4-Dihydroxyphenyl)ethyl]-2-O-acetyl-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： 112516-05-9
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