Chem
J-GLOBAL ID：200907034051478985   Nikkaji number：J806.946H

Trigoneoside IIa

トリゴネオシドIIa
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： C44H74O18
Molecular formula furigana： C44-H74-O18
Molecular weight： 891.058
InChI： InChI=1S/C44H74O18/c1-19(16-56-40-37(53)34(50)32(48)28(15-45)60-40)7-12-44(55)20(2)30-27(62-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)59-41-38(54)35(51)33(49)29(61-41)18-58-39-36(52)31(47)26(46)17-57-39/h19-41,45-55H,5-18H2,1-4H3/t19-,20-,21-,22-,23+,24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40+,41+,42-,43-,44?/m0/s1
InChI key： ISFAETRPBLFKQD-VTVFJGAMSA-N
SMILES： C[C@@H](CCC1(O)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • (25S)-3β-[(6-O-β-D-キシロピラノシル-β-D-グルコピラノシル)オキシ]-26-β-D-グルコピラノシルオキシ-5α-フロスタン-22-オール
  • (2R,3R,4S,5S,6R)-2-{[(1R,2S,4S,7S,8R,9S,12S,13S,16S,18S)-6-ヒドロキシ-7,9,13-トリメチル-6-[(3S)-3-メチル-4-{[(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}ブチル]-5-オキサペンタシクロ[10.8.0.02,9.04,8.013,18]イコサン-16-イル]オキシ}-6-({[(2S,3R,4S,5R)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}メチル)オキサン-3,4,5-トリオール
  • (2R,3R,4S,5S,6R)-2-{[(1R,2S,4S,7S,8R,9S,12S,13S,16S,18S)-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-yl]oxy}-6-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol
Other name (3)：
  • トリゴネオシドIIa
  • Trigoneoside IIa
  • (25S)-3β-[(6-O-β-D-Xylopyranosyl-β-D-glucopyranosyl)oxy]-26-β-D-glucopyranosyloxy-5α-furostan-22-ol
Thsaurus map：
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