Chem
J-GLOBAL ID：200907043922294446   Nikkaji number：J658.918I

Aloinoside A

アロイノシド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： C27H32O13
Molecular formula furigana： C27-H32-O13
Molecular weight： 564.540
InChI： InChI=1S/C27H32O13/c1-9-19(31)22(34)25(37)27(39-9)38-8-10-5-12-16(26-24(36)23(35)20(32)15(7-28)40-26)11-3-2-4-13(29)17(11)21(33)18(12)14(30)6-10/h2-6,9,15-16,19-20,22-32,34-37H,7-8H2,1H3/t9-,15+,16-,19-,20+,22+,23-,24+,25+,26-,27+/m0/s1
InChI key： BUPDVJFRVYWYEV-PIVIZACJSA-N
SMILES： C[C@@H]1O[C@@H](OCc2cc(O)c3C(=O)c4c(O)cccc4[C@H]([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c2)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • (10S)-10-β-D-グルコピラノシル-1,8-ジヒドロキシ-3-(α-L-ラムノピラノシルオキシメチル)-9(10H)-アントラセノン
  • (10S)-1,8-ジヒドロキシ-10-[(2S,3R,4R,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]-3-({[(2R,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}メチル)-9,10-ジヒドロアントラセン-9-オン
  • (10S)-1,8-dihydroxy-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)-9,10-dihydroanthracen-9-one
Other name (3)：
  • アロイノシドA
  • Aloinoside A
  • (10S)-10-β-D-Glucopyranosyl-1,8-dihydroxy-3-(α-L-rhamnopyranosyloxymethyl)-9(10H)-anthracenone
KEGG COMPOUND： C17779
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