Chem
J-GLOBAL ID：200907045572063414   Nikkaji number：J1.763.442I

Safghanoside D

サフガノシドD
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： C32H38O14
Molecular formula furigana： C32-H38-O14
Molecular weight： 646.642
InChI： InChI=1S/C32H38O14/c1-2-20-21(14-26(37)44-19-6-3-17(4-7-19)9-11-33)22(30(41)42-12-10-18-5-8-23(35)24(36)13-18)16-43-31(20)46-32-29(40)28(39)27(38)25(15-34)45-32/h2-8,13,16,21,25,27-29,31-36,38-40H,9-12,14-15H2,1H3/t21-,25+,27+,28-,29+,31-,32-/m0/s1
InChI key： FZOIPLSQUKJAQG-HAWWRBPLSA-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)Oc1ccc(CCO)cc1)C(=O)OCCc1ccc(O)c(O)c1
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-(3,4-ジ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4-(2-ヒドロキシエチル)フェニル
  • 2-(3,4-ジヒドロキシフェニル)エチル (2S,4S)-3-エチリデン-4-{2-[4-(2-ヒドロキシエチル)フェノキシ]-2-オキソエチル}-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-(3,4-dihydroxyphenyl)ethyl (2S,4S)-3-ethylidene-4-{2-[4-(2-hydroxyethyl)phenoxy]-2-oxoethyl}-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-(3,4-dihydroxyphenyl)ethoxycarbonyl]-2H-pyran-4α-acetic acid 4-(2-hydroxyethyl)phenyl ester
  • サフガノシドD
  • Safghanoside D
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