3',4',5,5'-Tetrahydroxy-3-[[6-O-(4-hydroxycinnamoyl)-beta-D-glucopyranosyl]oxy]-7-[[6-O-[4-[[1-O-[4-[5-hydroxy-3-(beta-D-glucopyranosyloxy)-7-(beta-D-xylopyranosyloxy)-4-oxo-4H-1-benzopyran-2-yl]phenyl]-beta-D-glucopyranose]-6-O-yl]-1,4-dioxobutyl]-beta-D-glucopyranosyl]oxy]flavylium

化合物标识与属性

PubChem CID

101024650

SMILES

C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=[OH+])O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)CCC(=O)OC[C@@H]7[C@H]([C@@H]([C@H]([C@@H](O7)OC8=CC(=O)C9=CC(=C(OC9=C8)C1=CC(=C(C(=C1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C=CC1=CC=C(C=C1)O)O)O)O)O)O)O)O)O)O)O)O)O)O

Canonical SMILES

O=C(C=Cc1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2cc3c(=O)cc(O[C@@H]4O[C@H](COC(=O)CCC(=O)OC[C@H]5O[C@@H](Oc6ccc(-c7oc8cc(O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)cc(O)c8c(=[OH+])c7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)cc6)[C@H](O)[C@@H](O)[C@@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc-3oc2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O