Chem
J-GLOBAL ID：200907025149900651   Nikkaji number：J1.742.991D

Markhamioside B

マルクハミオシドB
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： C35H46O19
Molecular formula furigana： C35-H46-O19
Molecular weight： 770.734
InChI： InChI=1S/C35H46O19/c1-16-25(41)27(43)28(44)32(51-16)53-29-26(42)23(13-49-24(40)8-5-17-4-7-20(38)22(12-17)47-2)52-33(48-10-9-18-3-6-19(37)21(39)11-18)30(29)54-34-31(45)35(46,14-36)15-50-34/h3-8,11-12,16,23,25-34,36-39,41-46H,9-10,13-15H2,1-2H3/t16-,23+,25-,26+,27+,28+,29-,30+,31-,32-,33+,34-,35+/m0/s1
InChI key： SSINDPAYUSUNDH-XMSXOOCVSA-N
SMILES： COc1cc(C=CC(=O)OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)ccc1O
Systematic name  (3)：
  • 3,4-ジヒドロキシフェネチル2-O-(D-アピオ-β-D-フラノシル)-3-O-(α-L-ラムノピラノシル)-6-O-[3-(4-ヒドロキシ-3-メトキシフェニル)-1-オキソ-2-プロペニル]-β-D-グルコピラノシド
  • [(2R,3R,4S,5R,6R)-5-{[(2S,3R,4R)-3,4-ジヒドロキシ-4-(ヒドロキシメチル)オキソラン-2-イル]オキシ}-6-[2-(3,4-ジヒドロキシフェニル)エトキシ]-3-ヒドロキシ-4-{[(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]メチル 3-(4-ヒドロキシ-3-メトキシフェニル)プロパ-2-エノアート
  • [(2R,3R,4S,5R,6R)-5-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3-hydroxy-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Other name (3)：
  • 3,4-Dihydroxyphenethyl 2-O-(D-apio-β-D-furanosyl)-3-O-(α-L-rhamnopyranosyl)-6-O-[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranoside
  • Markhamioside B
  • マルクハミオシドB
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