Chem
J-GLOBAL ID：200907082959721099   Nikkaji number：J1.252.619I

Ligupurpuroside A

リグプルプロシドA
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： C35H46O18
Molecular formula furigana： C35-H46-O18
Molecular weight： 754.735
InChI： InChI=1S/C35H46O18/c1-15-24(41)25(42)27(44)34(48-15)52-30-16(2)49-35(28(45)26(30)43)53-32-29(46)33(47-12-11-18-5-9-20(38)21(39)13-18)50-22(14-36)31(32)51-23(40)10-6-17-3-7-19(37)8-4-17/h3-10,13,15-16,22,24-39,41-46H,11-12,14H2,1-2H3/b10-6+/t15-,16-,22+,24-,25+,26-,27+,28+,29+,30-,31+,32+,33+,34-,35-/m0/s1
InChI key： WGBZWQMOSNCNAV-FVCUGLHDSA-N
SMILES： C[C@@H]1O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3[C@@H](O)[C@H](OCCc4ccc(O)c(O)c4)O[C@H](CO)[C@H]3OC(=O)/C=C/c3ccc(O)cc3)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 2-(3,4-ジヒドロキシフェニル)エチル3-O-(4-O-α-L-ラムノピラノシル-α-L-ラムノピラノシル)-4-O-[(E)-3-(4-ヒドロキシフェニル)プロペノイル]-β-D-グルコピラノシド
  • (2R,3R,4R,5R,6R)-4-{[(2S,3R,4S,5R,6S)-3,4-ジヒドロキシ-6-メチル-5-{[(2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-6-[2-(3,4-ジヒドロキシフェニル)エトキシ]-5-ヒドロキシ-2-(ヒドロキシメチル)オキサン-3-イル (2E)-3-(4-ヒドロキシフェニル)プロパ-2-エノアート
  • (2R,3R,4R,5R,6R)-4-{[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
Other name (3)：
  • 2-(3,4-Dihydroxyphenyl)ethyl 3-O-(4-O-α-L-rhamnopyranosyl-α-L-rhamnopyranosyl)-4-O-[(E)-3-(4-hydroxyphenyl)propenoyl]-β-D-glucopyranoside
  • リグプルプロシドA
  • Ligupurpuroside A
CAS registry number： 147396-01-8
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