General Characteristics
2D structure
NatID 1221
Common Name NatID_1221
Molecular Formula C16H24O9
Chemical Class Prenol lipids > Terpene glycosides
Molecular Weight 360.142 g/mol
Other names

 

Representations
Smiles C[C@H]1CC[C@H]2C(C(=O)O)=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/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7-,9+,10-,11+,12-,13+,15+,16-/m0/s1
Inchi Key DSXFHNSGLYXPNG-MDIWZKTHSA-N
3D Structure

 

Calculated Properties
clogP -1.21
TPSA 145.91
HBD 5
HBA 8
Rotatable Bonds 4
Aromatic Rings 0
Heavy Atoms 25
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 9

 

Experiments
EID Source Semisynthetic? Confidence level References
9483 Nepeta cataria No Unknown Garro, H. A., Bruna-Haupt, E., Cianchino, V., Malizia, F., Favier, S., Menacho-Márquez, M., Cifuente, D., Fernández, C. O., & Pungitore, C. R. (2020). Verbascoside, synthetic derivatives and other glycosides from Argentinian native plant species as potential antitumoral agents. Natural Product Research, 35(22), 4703–4708. https://doi.org/10.1080/14786419.2019.1710701

 

Bioassay ID NPASS ID Target Activity type Activity