Chem
J-GLOBAL ID：201007062125243386   Nikkaji number：J2.852.394G

Soyasaponin Ag

ソヤサポニンAg
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： C57H88O25
Molecular formula furigana： C57-H88-O25
Molecular weight： 1173.306
InChI： InChI=1S/C57H88O25/c1-24(59)75-31-22-74-50(44(77-26(3)61)41(31)76-25(2)60)79-40-30(63)21-73-49(39(40)68)82-46-45(69)52(4,5)19-28-27-11-12-33-54(7)15-14-34(55(8,23-58)32(54)13-16-57(33,10)56(27,9)18-17-53(28,46)6)78-51-43(37(66)36(65)42(80-51)47(70)71)81-48-38(67)35(64)29(62)20-72-48/h11,28-46,48-51,58,62-69H,12-23H2,1-10H3,(H,70,71)/t28-,29+,30-,31+,32+,33+,34-,35-,36-,37-,38+,39+,40-,41-,42-,43+,44+,45-,46+,48-,49-,50-,51+,53+,54-,55+,56+,57+/m0/s1
InChI key： NYYNWFSJUAJYCV-GUCVJOLDSA-N
SMILES： CC(=O)O[C@@H]1CO[C@@H](O[C@H]2[C@@H](O)CO[C@@H](O[C@@H]3[C@H](O)C(C)(C)C[C@H]4C5=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)C(=O)O)[C@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]5(C)CC[C@@]34C)[C@@H]2O)[C@H](OC(=O)C)[C@H]1OC(=O)C
Systematic name  (3)：
  • (4S)-3β-[2-O-[β-D-キシロピラノシル]-β-D-グルクロノピラノシルオキシ]-22β-[3-O-(2-O,3-O,4-O-トリアセチル-β-D-キシロピラノシル)-α-L-アラビノピラノシルオキシ]オレアナ-12-エン-21β,23-ジオール
  • (2S,3S,4S,5R,6R)-6-{[(3S,4S,4aR,6aR,6bS,8aR,9S,10R,12aS,14aR,14bR)-9-{[(2S,3R,4S,5S)-3,5-ジヒドロキシ-4-{[(2S,3R,4S,5R)-3,4,5-トリス(アセチルオキシ)オキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-10-ヒドロキシ-4-(ヒドロキシメチル)-4,6a,6b,8a,11,11,14b-ヘプタメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-イコサヒドロピセン-3-イル]オキシ}-3,4-ジヒドロキシ-5-{[(2S,3R,4S,5R)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}オキサン-2-カルボン酸
  • (2S,3S,4S,5R,6R)-6-{[(3S,4S,4aR,6aR,6bS,8aR,9S,10R,12aS,14aR,14bR)-9-{[(2S,3R,4S,5S)-3,5-dihydroxy-4-{[(2S,3R,4S,5R)-3,4,5-tris(acetyloxy)oxan-2-yl]oxy}oxan-2-yl]oxy}-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,4-dihydroxy-5-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxane-2-carboxylic acid
Other name (3)：
  • (4S)-3β-[2-O-[β-D-Xylopyranosyl]-β-D-glucurono pyranosyloxy]-22β-[3-O-(2-O,3-O,4-O-triacetyl-β-D-xylopyranosyl)-α-L-arabinopyranosyloxy]oleana-12-ene-21β,23-diol
  • ソヤサポニンAg
  • Soyasaponin Ag
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