General Characteristics
2D structure
NatID 1725
Common Name NatID_1725
Molecular Formula C26H38O9
Chemical Class Prenol lipids > Terpene glycosides
Molecular Weight 494.252 g/mol
Other names 188261-69-0

 

Representations
Smiles C=C1C(=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/C26H38O9/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/h13-20,22,27-31H,1,4-11H2,2-3H3/t13-,14-,15+,16+,17-,18-,19+,20-,22+,24+,25-,26-/m1/s1
Inchi Key BMXXQDGAMGQYJJ-KTNMWULYSA-N
3D Structure

 

Calculated Properties
clogP 0.45
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
10447 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