Chem
J-GLOBAL ID：200907042122128371   Nikkaji number：J1.161.278D

Deltoside

デルトシド
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： C51H82O23
Molecular formula furigana： C51-H82-O23
Molecular weight： 1063.194
InChI： InChI=1S/C51H82O23/c1-19-8-13-51(74-44(19)72-47-40(63)37(60)34(57)29(17-53)68-47)20(2)31-27(73-51)15-26-24-7-6-22-14-23(9-11-49(22,4)25(24)10-12-50(26,31)5)66-48-43(71-45-38(61)35(58)32(55)21(3)65-45)41(64)42(30(18-54)69-48)70-46-39(62)36(59)33(56)28(16-52)67-46/h6,19-21,23-48,52-64H,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+,46+,47+,48-,49+,50+,51+/m1/s1
InChI key： GOIJLHXMWHHLLJ-NMNIKHAASA-N
SMILES： C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)O[C@@]21CC[C@@H](C)C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O2
Systematic name  (3)：
  • (25R)-26-(β-D-グルコピラノシルオキシ)-3β-[(4-O-β-D-グルコピラノシル-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]スピロスタ-5-エン
  • (2S,3R,4S,5S,6R)-2-{[(2R,3S,4S,5R,6R)-4-ヒドロキシ-2-(ヒドロキシメチル)-6-[(1'S,2S,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S)-5,7',9',13'-テトラメチル-6-{[(2S,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}-5'-オキサスピロ[オキサン-2,6'-ペンタシクロ[10.8.0.02,9.04,8.013,18]イコサン]-18'-エネオキシ]-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}オキサン-3-イル]オキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2S,3R,4S,5S,6R)-2-{[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1'S,2S,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S)-5,7',9',13'-tetramethyl-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosan]-18'-eneoxy]-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3)：
  • (25R)-26-(β-D-Glucopyranosyloxy)-3β-[(4-O-β-D-glucopyranosyl-2-O-α-L-rhamnopyranosyl-β-D-glucopyranosyl)oxy]spirosta-5-ene
  • デルトシド
  • Deltoside
KEGG COMPOUND： C08895
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