| General Compound Information |
|
| BXGC Id |
BXGC0033870 |
| Compound Name |
Plantagineoside C |
| Structure |
 |
| Formula |
C25H32O11 |
| InchiKey |
KNGLPVKCHBEQMT-AHVKKWOPSA-N |
| SMILES |
OC[C@H]1O[C@@H](O[C@@H]2C[C@H](CCc3ccc(c(c3)O)O)O[C@@H](C2)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Inchi |
InChI=1S/C25H32O11/c26-11-21-22(31)23(32)24(33)25(36-21)35-15-9-14(4-1-12-2-5-16(27)18(29)7-12)34-20(10-15)13-3-6-17(28)19(30)8-13/h2-3,5-8,14-15,20-33H,1,4,9-11H2/t14-,15+,20-,21+,22+,23-,24+,25+/m0/s1 |
| IUPAC |
(2R,3R,4S,5S,6R)-2-[(2S,4R,6S)-2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)ethyl]oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Molecular Weight |
508.19 |
| Pubchem Id |
71455005 |
| Chembl Id |
CHEMBL2159607 |