Chem
J-GLOBAL ID：200907000083310111   Nikkaji number：J806.950F

Glycoside D

グリコシドD
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： C45H74O18
Molecular formula furigana： C45-H74-O18
Molecular weight： 903.069
InChI： InChI=1S/C45H74O18/c1-19(18-57-40-37(54)35(52)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-39(36(53)33(50)29(17-47)61-42)62-41-38(55)34(51)31(48)21(3)58-41/h6,19-21,23-42,46-56H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33+,34+,35-,36-,37+,38+,39+,40+,41-,42+,43-,44-,45?/m0/s1
InChI key： KNZSXKKCTOYLSV-WYOQVTGSSA-N
SMILES： C[C@@H](CCC1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[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](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[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  (4)：
  • (25S)-3β-[(2-O-α-L-ラムノピラノシル-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フロスタ-5-エン-22-オール
  • (25S)-3β-(2-O-α-L-ラムノピラノシル-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)フロスタ-5-エン-22-オール
  • (2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5S,6R)-4,5-ジヒドロキシ-2-{[(1S,2S,4S,7S,8R,9S,12S,13R,16S)-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-18-エン-16-イル]オキシ}-6-(ヒドロキシメチル)オキサン-3-イル]オキシ}-6-メチルオキサン-3,4,5-トリオール
  • (2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-{[(1S,2S,4S,7S,8R,9S,12S,13R,16S)-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]icos-18-en-16-yl]oxy}-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
Other name (6)：
  • トリゴフェノシドA
  • Trigofoenoside A
  • (25S)-3β-[(2-O-α-L-Rhamnopyranosyl-β-D-glucopyranosyl)oxy]-26-β-D-glucopyranosyloxyfurost-5-en-22-ol
  • (25S)-3β-(2-O-α-L-Rhamnopyranosyl-β-D-glucopyranosyloxy)-26-(β-D-glucopyranosyloxy)furosta-5-ene-22-ol
  • グリコシドD
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