2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[6-O-[3-oxo-3-[1-O-[2-(4-hydroxyphenyl)-3-(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyloxy)-4-oxo-5-hydroxy-4H-1-benzopyran-7-yl]-6-C-oxo-2-deoxy-beta-D-glucopyranose-2-yloxy]propanoyl]-beta-D-glucopyranosyloxy]-1-benzopyrylium

化合物标识与属性

PubChem CID

101056942

SMILES

C1=CC(=CC=C1C2=C(C(=[OH+])C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)OC(=O)CC(=O)OC[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)OC6=C(OC7=CC(=O)C=C(C7=C6)O)C8=CC(=C(C=C8)O)O)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O

Canonical SMILES

O=C(CC(=O)O[C@H]1[C@H](Oc2cc(O)c3c(=[OH+])c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(=O)cc-3oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O