Chem
J-GLOBAL ID：200907059299910398   Nikkaji number：J1.763.444E

Safghanoside F

サフガノシドF
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： C38H48O18
Molecular formula furigana： C38-H48-O18
Molecular weight： 792.784
InChI： InChI=1S/C38H48O18/c1-2-23-24(15-28(42)52-18-27-30(44)32(46)33(47)37(55-27)51-14-12-20-5-9-22(41)10-6-20)25(35(49)50-13-11-19-3-7-21(40)8-4-19)17-53-36(23)56-38-34(48)31(45)29(43)26(16-39)54-38/h2-10,17,24,26-27,29-34,36-41,43-48H,11-16,18H2,1H3/t24-,26+,27+,29+,30+,31-,32-,33+,34+,36-,37+,38-/m0/s1
InChI key： LIZINHINKPEWIG-RFMVQZQCSA-N
SMILES： CC=C1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C([C@H]1CC(=O)OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)OCCc1ccc(O)cc1
Systematic name  (3)：
  • (2S)-3-エチリデン-2β-(β-D-グルコピラノシルオキシ)-3,4-ジヒドロ-5-[2-(4-ヒドロキシフェニル)エトキシカルボニル]-2H-ピラン-4α-酢酸1-O-[2-(4-ヒドロキシフェニル)エチル]-6-デオキシ-β-D-グルコピラノース-6-イル
  • 2-(4-ヒドロキシフェニル)エチル (2S,4S)-3-エチリデン-4-(2-オキソ-2-{[(2R,3S,4S,5R,6R)-3,4,5-トリヒドロキシ-6-[2-(4-ヒドロキシフェニル)エトキシ]オキサン-2-イル]メトキシ}エチル)-2-{[(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}-3,4-ジヒドロ-2H-ピラン-5-カルボキシラート
  • 2-(4-hydroxyphenyl)ethyl (2S,4S)-3-ethylidene-4-(2-oxo-2-{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy}ethyl)-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate
Other name (3)：
  • (2S)-3-Ethylidene-2β-(β-D-glucopyranosyloxy)-3,4-dihydro-5-[2-(4-hydroxyphenyl)ethoxycarbonyl]-2H-pyran-4α-acetic acid 1-O-[2-(4-hydroxyphenyl)ethyl]-6-deoxy-β-D-glucopyranose-6-yl ester
  • サフガノシドF
  • Safghanoside F
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