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-O-methyl-6-C-oxo-2-deoxy-beta-D-glucopyranose-2-yloxy]propanoyl]-3-O-acetyl-beta-D-glucopyranosyloxy]-1-benzopyrylium

化合物标识与属性

PubChem CID

101056946

SMILES

CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)OC2=C(OC3=CC(=O)C=C(C3=C2)O)C4=CC(=C(C=C4)O)O)COC(=O)CC(=O)O[C@@H]5[C@H]([C@@H]([C@H](O[C@H]5OC6=CC(=C7C(=C6)OC(=C(C7=[OH+])O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)C1=CC=C(C=C1)O)O)C(=O)OC)O)O)O

Canonical SMILES

COC(=O)[C@H]1O[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)[C@H](OC(=O)CC(=O)OC[C@H]2O[C@@H](Oc3cc4c(O)cc(=O)cc-4oc3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](OC(C)=O)[C@@H]2O)[C@@H](O)[C@@H]1O