Oblonganoside A
Representations & DB's id
| ||
| ChEBI: | CHEBI:66801 | |
|---|---|---|
| ChEMBL: | CHEMBL2269902 | |
| PubChem: | 16216517 | |
| IUPAC: | [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,5S,7R,10R,11R,14R,15S,18S,23S)-7-(hydroxymethyl)-2,10,14,15,21,22-hexamethyl-6,8-dioxahexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-21,24-diene-18-carboxylate | |
| Standard InChI: | InChI=1S/C38H58O10/c1-20-9-14-38(33(44)48-32-31(43)30(42)29(41)23(17-39)46-32)16-15-36(5)22(28(38)21(20)2)7-8-25-34(3)12-11-26-35(4,19-45-27(18-40)47-26)24(34)10-13-37(25,36)6/h7,23-32,39-43H,8-19H2,1-6H3/t23-,24-,25-,26+,27-,28+,29-,30+,31-,32+,34+,35+,36-,37-,38+/m1/s1 | |
| Standard InChI Key: | XNXBBAVPDDPLJE-IUFVKNBISA-N | |
| SMILES: | OC[C@@H]1OC[C@@]2([C@@H](O1)CC[C@]1([C@H]2CC[C@@]2([C@@H]1CC=C1[C@@]2(C)CC[C@@]2([C@H]1C(=C(CC2)C)C)C(=O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C)C)C | |
Molecular propeties
| ||
| AlogP: | 3.77 | |
|---|---|---|
| Hydrogen bonds acceptors: | 10 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 7 | |
| Molecular Weight: | 674.4 | |
| Topological polar surface area: | 155 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.868 | |
| Number of carbons: | 38 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|