Chem
J-GLOBAL ID：200907088816805923   Nikkaji number：J1.763.441K

Safghanoside C

サフガノシドC
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： C30H40O17
Molecular formula furigana： C30-H40-O17
Molecular weight： 672.633
InChI： InChI=1S/C30H40O17/c1-2-15-16(9-20(34)46-29-25(39)23(37)21(35)18(10-31)44-29)17(27(41)42-8-7-13-3-5-14(33)6-4-13)12-43-28(15)47-30-26(40)24(38)22(36)19(11-32)45-30/h2-6,12,16,18-19,21-26,28-33,35-40H,7-11H2,1H3/t16-,18+,19+,21+,22+,23-,24-,25+,26+,28-,29-,30-/m0/s1
InChI key： KUXJXOUSJBCRRS-NITRWPECSA-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)O[C@@H]1O[C@H](CO)[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β-D-グルコピラノシル
  • 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-{[(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}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-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}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 β-D-glucopyranosyl ester
  • サフガノシドC
  • Safghanoside C
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