General Characteristics
2D structure
NatID 1664
Common Name NatID_1664
Molecular Formula C23H24O13
Chemical Class Flavonoids > Flavonoid glycosides
Molecular Weight 508.122 g/mol
Other names 103839-19-6

 

Representations
Smiles COc1cc(-c2oc3c(OC)c(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O
Inchi InChI=1S/C23H24O13/c1-32-12-5-8(3-4-9(12)25)19-22(36-23-18(31)17(30)15(28)13(7-24)34-23)16(29)14-10(26)6-11(27)20(33-2)21(14)35-19/h3-6,13,15,17-18,23-28,30-31H,7H2,1-2H3/t13-,15+,17+,18-,23+/m1/s1
Inchi Key XZGXHUKLGCOGII-PKNOTBOHSA-N
3D Structure

 

Calculated Properties
clogP -0.23
TPSA 208.74
HBD 7
HBA 13
Rotatable Bonds 6
Aromatic Rings 3
Heavy Atoms 36
Aromatic Carbocycles 2
Aromatic Heterocycles 1
Number of NO 13

 

Experiments
EID Source Semisynthetic? Confidence level References
10367 Prosopidastrum globosum No Low Agnese, A. M., Chiale, C. A., Cabrera, J. L., & Juliani, H. R. (1986). Two New Flavonoids from Prosopidastrum globosum. Journal of Natural Products, 49(3), 528–529. https://doi.org/10.1021/np50045a029

 

Bioassay ID NPASS ID Target Activity type Activity