Description
IUPAC Name: 3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-7-methoxy-4-oxo-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-3-yl]oxyoxan-2-yl]methoxy]propanoic acid
InChI: InChI=1S/C31H34O19/c1-44-13-6-14(33)20-15(7-13)47-28(11-2-4-12(5-3-11)46-30-26(42)24(40)21(37)16(9-32)48-30)29(23(20)39)50-31-27(43)25(41)22(38)17(49-31)10-45-19(36)8-18(34)35/h2-7,16-17,21-22,24-27,30-33,37-38,40-43H,8-10H2,1H3,(H,34,35)/t16-,17-,21-,22-,24+,25+,26-,27-,30-,31+/m1/s1
InChIKey: LYXGNVPOKGCBIY-BJQVKHFCSA-N
Canonical SMILES: COC1=CC(=C2C(=C1)OC(=C(C2=O)OC3C(C(C(C(O3)COC(=O)CC(=O)O)O)O)O)C4=CC=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)O
Isomeric SMILES: COC1=CC(=C2C(=C1)OC(=C(C2=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)CC(=O)O)O)O)O)C4=CC=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
Synonyms: 6”-MALONATE-COMPLANATUSIDE; E88656; 2089462-18-8
Botanical Source: Astragalus complanatus R. Br.