Ginsenoside Rh5
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL454530 | |
| PubChem: | 10699455 | |
| IUPAC: | (2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-methoxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol | |
| Standard InChI: | InChI=1S/C37H64O9/c1-20(2)11-10-14-37(8,44-9)21-12-16-35(6)27(21)22(39)17-25-34(5)15-13-26(40)33(3,4)31(34)23(18-36(25,35)7)45-32-30(43)29(42)28(41)24(19-38)46-32/h11,21-32,38-43H,10,12-19H2,1-9H3/t21-,22+,23-,24+,25+,26-,27-,28+,29-,30+,31-,32+,34+,35+,36+,37-/m0/s1 | |
| Standard InChI Key: | WTSNEXSNFSFTFK-DJGAMQLYSA-N | |
| SMILES: | OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)[C@@H]([C@@]4([C@@H]2C(C)(C)[C@@H](O)CC4)C)C[C@H]([C@H]2[C@@]3(C)CC[C@@H]2[C@](CCC=C(C)C)(OC)C)O)[C@@H]([C@H]([C@@H]1O)O)O | |
Molecular propeties
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| AlogP: | 3.95 | |
|---|---|---|
| Hydrogen bonds acceptors: | 9 | |
| Hydrogen bonds donors: | 6 | |
| Rotatable bonds: | 8 | |
| Number of rings: | 5 | |
| Molecular Weight: | 652.46 | |
| Topological polar surface area: | 149 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.946 | |
| Number of carbons: | 37 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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