Description
IUPAC Name: 1,6-dihydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
InChI: InChI=1S/C21H20O10/c1-7-2-9-14(11(24)3-7)18(27)15-10(16(9)25)4-8(23)5-12(15)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3/t13-,17-,19+,20-,21-/m1/s1
InChIKey: HSWIRQIYASIOBE-JNHRPPPUSA-N
Canonical SMILES: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)O
Isomeric SMILES: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
Synonyms: Emodin-8-glucoside; 23313-21-5; Emodin glucoside B; Anthraglycoside B; emodin 8-O-glucoside; Emodin 8-glucoside; Emodin-1 (8)-monoglucoside; Emodin-8-O-beta-D-glucopyranoside; …
Botanical Source: Rheum palmatum L.