General Characteristics
2D structure
NatID 1723
Common Name NatID_1723
Molecular Formula C26H40O9
Chemical Class Prenol lipids > Terpene glycosides
Molecular Weight 496.267 g/mol
Other names 1619942-28-7

 

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

 

Calculated Properties
clogP 0.48
TPSA 145.91
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
10445 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