General Characteristics
2D structure
NatID 703
Common Name 6-epi-catalpol
Molecular Formula C15H22O10
Chemical Class Organooxygen compounds > Carbohydrates and carbohydrate conjugates
Molecular Weight 362.121 g/mol
Other names

 

Representations
Smiles OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(CO)O[C@H]2[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]1O
Inchi InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8-,9-,10+,11-,12+,13+,14+,15-/m1/s1
Inchi Key LHDWRKICQLTVDL-QXJSOWLYSA-N
3D Structure

 

Calculated Properties
clogP -3.59
TPSA 161.60
HBD 6
HBA 10
Rotatable Bonds 4
Aromatic Rings 0
Heavy Atoms 25
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 10

 

Experiments
EID Source Semisynthetic? Confidence level References
9273 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