Forsythoside B
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL393292 | |
| PubChem: | 44429859 | |
| IUPAC: | [(2R,3R,4R,5R,6R)-2-[[(2S,3S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate | |
| Standard InChI: | InChI=1S/C34H44O19/c1-15-24(41)25(42)26(43)32(50-15)53-29-27(44)31(47-9-8-17-3-6-19(37)21(39)11-17)51-22(12-48-33-30(45)34(46,13-35)14-49-33)28(29)52-23(40)7-4-16-2-5-18(36)20(38)10-16/h2-7,10-11,15,22,24-33,35-39,41-46H,8-9,12-14H2,1H3/b7-4+/t15-,22-,24-,25+,26+,27-,28-,29-,30-,31-,32-,33+,34?/m1/s1 | |
| Standard InChI Key: | JMBINOWGIHWPJI-NEPNWHKHSA-N | |
| SMILES: | OCC1(O)CO[C@@H]([C@H]1O)OC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)O[C@H]1O[C@H](C)[C@H]([C@@H]([C@@H]1O)O)O)O | |
Molecular propeties
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| AlogP: | -2.55 | |
|---|---|---|
| Hydrogen bonds acceptors: | 19 | |
| Hydrogen bonds donors: | 11 | |
| Rotatable bonds: | 13 | |
| Number of rings: | 5 | |
| Molecular Weight: | 756.25 | |
| Topological polar surface area: | 304 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.559 | |
| Number of carbons: | 34 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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