Chem
J-GLOBAL ID：200907071139763437   Nikkaji number：J585.574H

Bellidioside A

ベリジオシド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： C58H92O26
Molecular formula furigana： C58-H92-O26
Molecular weight： 1205.348
InChI： InChI=1S/C58H92O26/c1-24-35(64)39(68)42(71)48(77-24)82-46-45(81-49-43(72)40(69)36(65)30(20-59)78-49)38(67)32(22-75-25(2)61)80-51(46)84-52(74)58-16-14-53(4,5)18-28(58)27-10-11-34-54(6)19-29(63)47(83-50-44(73)41(70)37(66)31(21-60)79-50)55(7,23-76-26(3)62)33(54)12-13-57(34,9)56(27,8)15-17-58/h10,24,28-51,59-60,63-73H,11-23H2,1-9H3/t24-,28-,29-,30+,31+,32+,33+,34+,35-,36+,37+,38+,39+,40-,41-,42+,43+,44+,45-,46+,47-,48-,49-,50-,51-,54-,55-,56+,57+,58-/m0/s1
InChI key： FPUHPXSPVPXVGB-IGUJLGQZSA-N
SMILES： C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(COC(=O)C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)O[C@H](COC(=O)C)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 2β-ヒドロキシ-3β-(β-D-グルコピラノシルオキシ)-23-アセトキシオレアナ-12-エン-28-酸6-O-アセチル-2-O-(α-L-ラムノピラノシル)-3-O-(β-D-グルコピラノシル)-β-D-グルコピラノシル
  • (2S,3R,4S,5R,6R)-6-[(アセチルオキシ)メチル]-5-ヒドロキシ-4-{[(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}-3-{[(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-2-イル (4aS,6aS,6bR,8aR,9R,10R,11S,12aR,12bR,14bS)-9-[(アセチルオキシ)メチル]-11-ヒドロキシ-2,2,6a,6b,9,12a-ヘキサメチル-10-{[(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}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-イコサヒドロピセン-4a-カルボキシラート
  • (2S,3R,4S,5R,6R)-6-[(acetyloxy)methyl]-5-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl (4aS,6aS,6bR,8aR,9R,10R,11S,12aR,12bR,14bS)-9-[(acetyloxy)methyl]-11-hydroxy-2,2,6a,6b,9,12a-hexamethyl-10-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
Other name (3)：
  • ベリジオシドA
  • Bellidioside A
  • 2β-Hydroxy-3β-(β-D-glucopyranosyloxy)-23-acetoxyolean-12-en-28-oic acid 6-O-acetyl-2-O-(α-L-rhamnopyranosyl)-3-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl ester
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM