General Characteristics
2D structure
NatID 637
Common Name 10-O-acetyl-6-epi-catalpol
Molecular Formula C17H24O11
Chemical Class Organooxygen compounds > Carbohydrates and carbohydrate conjugates
Molecular Weight 404.132 g/mol
Other names

 

Representations
Smiles CC(=O)OC[C@]12O[C@H]1[C@H](O)[C@@H]1C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12
Inchi InChI=1S/C17H24O11/c1-6(19)25-5-17-9-7(10(20)14(17)28-17)2-3-24-15(9)27-16-13(23)12(22)11(21)8(4-18)26-16/h2-3,7-16,18,20-23H,4-5H2,1H3/t7-,8-,9-,10-,11-,12+,13-,14+,15+,16+,17-/m1/s1
Inchi Key YOOQXBIEVFLKNS-NQSZKFQGSA-N
3D Structure

 

Calculated Properties
clogP -3.02
TPSA 167.67
HBD 5
HBA 11
Rotatable Bonds 5
Aromatic Rings 0
Heavy Atoms 28
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 11

 

Experiments
EID Source Semisynthetic? Confidence level References
9271 Buddleja cordobensis No Very High Garro, H. A., García, C., Martín, V. S., Tonn, C. E., & Pungitore, C. R. (2015). A new iridoid, verbascoside and derivatives with inhibitory activity against Taq DNA polymerase. Bioorganic & Medicinal Chemistry Letters, 25(4), 914–918. https://doi.org/10.1016/j.bmcl.2014.12.052

 

Bioassay ID NPASS ID Target Activity type Activity