8,14-Epoxy-3beta-[(3-O-methyl-2,6-dideoxy-beta-D-lyxo-hexopyranosyl)oxy]-5beta,14beta-carda-16,20(22)-dienolide
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL229373 | |
| PubChem: | 44425147 | |
| IUPAC: | 3-[(1S,3R,7R,10R,11S,14S,16R)-14-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadec-5-en-6-yl]-2H-furan-5-one | |
| Standard InChI: | InChI=1S/C30H42O7/c1-17-26(32)22(33-4)15-25(35-17)36-20-6-9-27(2)19(14-20)5-11-29-23(27)8-10-28(3)21(7-12-30(28,29)37-29)18-13-24(31)34-16-18/h7,13,17,19-20,22-23,25-26,32H,5-6,8-12,14-16H2,1-4H3/t17-,19-,20+,22-,23-,25+,26+,27+,28-,29+,30-/m1/s1 | |
| Standard InChI Key: | QXQSONDGTHTLKY-MKFWVJGXSA-N | |
| SMILES: | CO[C@@H]1C[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@]24[C@@H]3CC[C@]3([C@]4(O2)CC=C3C2=CC(=O)OC2)C)C)O[C@@H]([C@@H]1O)C | |
Molecular propeties
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| AlogP: | 4.22 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 7 | |
| Molecular Weight: | 514.29 | |
| Topological polar surface area: | 86.8 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.8 | |
| Number of carbons: | 30 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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