Chem
J-GLOBAL ID：200907070088921443   Nikkaji number：J358.311B

Saponin G2

サポニンG2
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： C42H62O17
Molecular formula furigana： C42-H62-O17
Molecular weight： 838.941
InChI： InChI=1S/C42H62O17/c1-37-11-12-38(2,36(54)55)16-19(37)18-15-20(44)31-39(3)9-8-22(40(4,17-43)21(39)7-10-42(31,6)41(18,5)14-13-37)56-35-30(26(48)25(47)29(58-35)33(52)53)59-34-27(49)23(45)24(46)28(57-34)32(50)51/h15,19,21-31,34-35,43,45-49H,7-14,16-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55)/t19-,21+,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35+,37+,38-,39-,40+,41+,42+/m0/s1
InChI key： WBQVRPYEEYUEBQ-OJVDLISWSA-N
SMILES： C[C@]12CC[C@@](C)(C[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)CC[C@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)O)C(=O)O)[C@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)O
Systematic name  (5)：
  • 11-オキソ-3β-[[2-O-(6-オキソ-β-D-グルコピラノシル)-6-オキソ-β-D-グルコピラノシル]オキシ]-24-ヒドロキシオレアナ-12-エン-30-酸
  • 3β-[(2-O-β-D-グルコピラヌロノシル-β-D-グルコピラヌロノシル)オキシ]-24-ヒドロキシ-11-オキソオレアナ-12-エン-30-酸
  • 24-ヒドロキシ-3β-(2-O-β-D-グルコピラヌロノシル-β-D-グルコピラヌロノシルオキシ)-11-オキソオレアナ-12-エン-30-酸
  • (2S,3S,4S,5R,6R)-6-{[(3S,4S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-カルボキシ-4-(ヒドロキシメチル)-4,6a,6b,8a,11,14b-ヘキサメチル-14-オキソ-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}-5-{[(2R,3R,4S,5S,6S)-6-カルボキシ-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}-3,4-ジヒドロキシオキサン-2-カルボン酸
  • (2S,3S,4S,5R,6R)-6-{[(3S,4S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-{[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid
Other name (9)：
  • Licorice saponin G2
  • リコリスサポニンG2
  • 11-Oxo-3β-[[2-O-(6-oxo-β-D-glucopyranosyl)-6-oxo-β-D-glucopyranosyl]oxy]-24-hydroxyolean-12-en-30-oic acid
  • 3β-[(2-O-β-D-Glucopyranuronosyl-β-D-glucopyranuronosyl)oxy]-24-hydroxy-11-oxooleana-12-ene-30-oic acid
  • サポニンG2
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