General Characteristics
2D structure
NatID 642
Common Name 6,10,6'-tri-O-Tert-butyldimethylsilyl-6-epi-catalpol
Molecular Formula C33H64O10Si3
Chemical Class Organooxygen compounds > Carbohydrates and carbohydrate conjugates
Molecular Weight 704.381 g/mol
Other names

 

Representations
Smiles CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(CO[Si](C)(C)C(C)(C)C)O[C@H]2[C@@H]3O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O
Inchi InChI=1S/C33H64O10Si3/c1-30(2,3)44(10,11)38-18-21-23(34)24(35)25(36)29(40-21)41-28-22-20(16-17-37-28)26(43-46(14,15)32(7,8)9)27-33(22,42-27)19-39-45(12,13)31(4,5)6/h16-17,20-29,34-36H,18-19H2,1-15H3/t20-,21-,22-,23-,24+,25-,26-,27+,28+,29+,33-/m1/s1
Inchi Key XFHAJZXNMCBCLZ-FGJPGFQWSA-N
3D Structure

 

Calculated Properties
clogP 5.50
TPSA 128.60
HBD 3
HBA 10
Rotatable Bonds 10
Aromatic Rings 0
Heavy Atoms 46
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 10

 

Experiments
EID Source Semisynthetic? Confidence level References
9276 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