Floralginsenoside Tb
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL583832 | |
| PubChem: | 46224642 | |
| IUPAC: | (2S,3R,4S,5S,6R)-2-[(2S)-5,5-dimethoxy-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,6,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol | |
| Standard InChI: | InChI=1S/C35H62O11/c1-31(2)23(39)10-12-32(3)22-15-19(37)25-18(9-13-33(25,4)34(22,5)16-20(38)29(31)32)35(6,14-11-24(43-7)44-8)46-30-28(42)27(41)26(40)21(17-36)45-30/h18-30,36-42H,9-17H2,1-8H3/t18-,19+,20-,21+,22+,23-,25-,26+,27-,28+,29-,30-,32+,33+,34+,35-/m0/s1 | |
| Standard InChI Key: | QIUFBGKZPHXTFG-SMVHEGPUSA-N | |
| SMILES: | COC(CC[C@@]([C@H]1CC[C@@]2([C@@H]1[C@H](O)C[C@H]1[C@@]2(C)C[C@@H]([C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)O)C)(O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C)OC | |
Molecular propeties
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| AlogP: | 1.95 | |
|---|---|---|
| Hydrogen bonds acceptors: | 11 | |
| Hydrogen bonds donors: | 7 | |
| Rotatable bonds: | 9 | |
| Number of rings: | 5 | |
| Molecular Weight: | 658.43 | |
| Topological polar surface area: | 179 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 1 | |
| Number of carbons: | 35 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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