Chem
J-GLOBAL ID：200907016123932602   Nikkaji number：J2.020.903H

Cascaroside D

カスカロシド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： C27H32O13
Molecular formula furigana： C27-H32-O13
Molecular weight： 564.540
InChI： InChI=1S/C27H32O13/c1-9-5-11-16(26-24(36)22(34)19(31)14(7-28)38-26)10-3-2-4-13(18(10)21(33)17(11)12(30)6-9)39-27-25(37)23(35)20(32)15(8-29)40-27/h2-6,14-16,19-20,22-32,34-37H,7-8H2,1H3/t14-,15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1
InChI key： GQPFUOPPYJYZHE-OPEXUXIQSA-N
SMILES： Cc1cc(O)c2C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc3[C@@H]([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2c1
Systematic name  (3)：
  • (10R)-1-ヒドロキシ-3-メチル-8-(β-D-グルコピラノシルオキシ)-10α-β-D-グルコピラノシル-9,10-ジヒドロアントラセン-9-オン
  • (10R)-1-ヒドロキシ-3-メチル-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]-8-{[(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}-9,10-ジヒドロアントラセン-9-オン
  • (10R)-1-hydroxy-3-methyl-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-9-one
Other name (3)：
  • (10R)-1-Hydroxy-3-methyl-8-(β-D-glucopyranosyloxy)-10α-β-D-glucopyranosyl-9,10-dihydroanthracene-9-one
  • カスカロシドD
  • Cascaroside D
KEGG COMPOUND： C16800
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