General Characteristics
2D structure
NatID 1719
Common Name NatID_1719
Molecular Formula C26H40O9
Chemical Class Prenol lipids > Terpene glycosides
Molecular Weight 496.267 g/mol
Other names 1619942-24-3

 

Representations
Smiles C[C@H]1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1C[C@H]3O
Inchi InChI=1S/C26H40O9/c1-12-13-5-6-15-24(2)7-4-8-25(3,16(24)9-17(28)26(15,10-13)21(12)32)23(33)35-22-20(31)19(30)18(29)14(11-27)34-22/h12-20,22,27-31H,4-11H2,1-3H3/t12-,13-,14-,15+,16+,17-,18-,19+,20-,22+,24+,25-,26-/m1/s1
Inchi Key BXFHCJJLEVZIOO-DPUDCOTPSA-N
3D Structure

 

Calculated Properties
clogP 0.53
TPSA 153.75
HBD 5
HBA 9
Rotatable Bonds 3
Aromatic Rings 0
Heavy Atoms 35
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 9

 

Experiments
EID Source Semisynthetic? Confidence level References
10441 Hyalis argentea var. latisquama No Low Fernández, L. R., Butassi, E., Svetaz, L., Zacchino, S. A., Palermo, J. A., & Sánchez, M. (2014). Antifungal Terpenoids from Hyalis argentea var. latisquama. Journal of Natural Products, 77(7), 1579–1585. https://doi.org/10.1021/np500032u

 

Bioassay ID NPASS ID Target Activity type Activity