Chem
J-GLOBAL ID：200907085818394557   Nikkaji number：J346.391E

Mi-saponin A

Mi-サポニン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： C58H94O27
Molecular formula furigana： C58-H94-O27
Molecular weight： 1223.363
InChI： InChI=1S/C58H94O27/c1-22-32(65)35(68)38(71)48(78-22)82-43-29(64)20-76-47(41(43)74)81-42-23(2)79-49(40(73)37(42)70)83-44-33(66)28(63)19-77-51(44)85-52(75)58-13-11-53(3,4)15-25(58)24-9-10-31-54(5)16-27(62)46(84-50-39(72)36(69)34(67)30(18-59)80-50)55(6,21-60)45(54)26(61)17-57(31,8)56(24,7)12-14-58/h9,22-23,25-51,59-74H,10-21H2,1-8H3/t22-,23-,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-,54+,55-,56+,57+,58-/m0/s1
InChI key： CQUSHZSCDGSFBF-NBHXUDFYSA-N
SMILES： C[C@@H]1O[C@@H](O[C@H]2[C@H](O)CO[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4[C@@H](O)[C@@H](O)CO[C@H]4OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@](C)(CO)[C@@H]7[C@H](O)C[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (4)：
  • 3β-[(β-D-グルコピラノシル)オキシ]-2β,6β,23-トリヒドロキシオレアナ-12-エン-28-酸[2-O-[4-O-[3-O-(α-L-ラムノピラノシル)-β-D-キシロピラノシル]-α-L-ラムノピラノシル]-α-L-アラビノピラノシル]
  • 3β-(β-D-グルコピラノシルオキシ)-2β,6β,23-トリヒドロキシ-5α-オレアナ-12-エン-28-酸2-O-[4-O-[3-O-(6-デオキシ-α-L-マンノピラノシル)-β-D-キシロピラノシル]-6-デオキシ-α-L-マンノピラノシル]-α-L-アラビノピラノシル
  • (2S,3R,4S,5S)-3-{[(2S,3R,4S,5R,6S)-5-{[(2S,3R,4S,5R)-3,5-ジヒドロキシ-4-{[(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]オキシ}-3,4-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}-4,5-ジヒドロキシオキサン-2-イル (4aS,6aS,6bR,8R,8aR,9R,10R,11S,12aR,12bR,14bS)-8,11-ジヒドロキシ-9-(ヒドロキシメチル)-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,5S)-3-{[(2S,3R,4S,5R,6S)-5-{[(2S,3R,4S,5R)-3,5-dihydroxy-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl (4aS,6aS,6bR,8R,8aR,9R,10R,11S,12aR,12bR,14bS)-8,11-dihydroxy-9-(hydroxymethyl)-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 (7)：
  • Mi-サポニンA
  • Mi-saponin A
  • 3β-(β-D-Glucopyranosyloxy)-2β,6β,23-trihydroxy-5α-olean-12-en-28-oic acid 2-O-[4-O-[3-O-(6-deoxy-α-L-mannopyranosyl)-β-D-xylopyranosyl]-6-deoxy-α-L-mannopyranosyl]-α-L-arabinopyranosyl ester
  • ミ-サポニンA
  • Mi-saponine A
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