Representations & DB's id
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| ChEBI: |
None
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| ChEMBL: |
CHEMBL1957046
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| PubChem: |
57401809
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IUPAC:
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[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-5-hydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
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Standard InChI:
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InChI=1S/C47H54O27/c1-16-30(56)40(72-46-37(63)35(61)32(58)26(13-48)69-46)38(64)45(67-16)66-15-27-33(59)41(73-44-36(62)31(57)24(54)14-65-44)43(71-28(55)9-4-17-2-6-19(49)7-3-17)47(70-27)74-42-34(60)29-23(53)11-20(50)12-25(29)68-39(42)18-5-8-21(51)22(52)10-18/h2-12,16,24,26-27,30-33,35-38,40-41,43-54,56-59,61-64H,13-15H2,1H3/b9-4+/t16-,24-,26+,27+,30-,31-,32+,33+,35-,36+,37+,38+,40+,41-,43+,44-,45+,46-,47-/m0/s1
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Standard InChI Key:
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YDPDTPHAIHAETR-RJHHWURMSA-N
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SMILES:
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OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@H](OC[C@H]3O[C@@H](Oc4c(oc5c(c4=O)c(O)cc(c5)O)c4ccc(c(c4)O)O)[C@@H]([C@H]([C@@H]3O)O[C@@H]3OC[C@@H]([C@@H]([C@H]3O)O)O)OC(=O)/C=C/c3ccc(cc3)O)O[C@H]([C@@H]2O)C)[C@@H]([C@H]([C@@H]1O)O)O |
