Description
IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2R,3R)-4-hydroxy-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
InChI: InChI=1S/C26H36O11/c1-34-20-9-14(3-5-18(20)29)7-16(11-27)17(8-15-4-6-19(30)21(10-15)35-2)13-36-26-25(33)24(32)23(31)22(12-28)37-26/h3-6,9-10,16-17,22-33H,7-8,11-13H2,1-2H3/t16-,17-,22+,23+,24-,25+,26+/m0/s1
InChIKey: DRLPXFRWJUZTMG-DNABOVRESA-N
Canonical SMILES: COC1=C(C=CC(=C1)CC(CO)C(CC2=CC(=C(C=C2)O)OC)COC3C(C(C(C(O3)CO)O)O)O)O
Isomeric SMILES: COC1=C(C=CC(=C1)C[C@@H](CO)[C@@H](CC2=CC(=C(C=C2)O)OC)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
Synonyms: Secoisolariciresinol monoglucoside; 63320-67-2; Secoisolariciresinolmonoglucoside; DTXSID101257273; Secoisolariciresinol ?-D-glucoside; HY-N1276; AKOS040760704; DA-77776; …
Botanical Source: