General Characteristics
2D structure
NatID 641
Common Name 10,6'-di-O-tert-butyldimethylsilyl-6-epi-catalpol
Molecular Formula C27H50O10Si2
Chemical Class Organooxygen compounds > Carbohydrates and carbohydrate conjugates
Molecular Weight 590.294 g/mol
Other names

 

Representations
Smiles CC(C)(C)[Si](C)(C)OC[C@]12O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[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/C27H50O10Si2/c1-25(2,3)38(7,8)33-14-27-17-15(21(22(27)36-27)37-39(9,10)26(4,5)6)11-12-32-23(17)35-24-20(31)19(30)18(29)16(13-28)34-24/h11-12,15-24,28-31H,13-14H2,1-10H3/t15-,16-,17-,18-,19+,20-,21-,22+,23+,24+,27-/m1/s1
Inchi Key YCEFOADVBMLNOJ-RWCRPDMGSA-N
3D Structure

 

Calculated Properties
clogP 2.47
TPSA 139.60
HBD 4
HBA 10
Rotatable Bonds 8
Aromatic Rings 0
Heavy Atoms 39
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 10

 

Experiments
EID Source Semisynthetic? Confidence level References
9272 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