General Characteristics
2D structure
NatID 1720
Common Name NatID_1720
Molecular Formula C26H38O9
Chemical Class Prenol lipids > Terpene glycosides
Molecular Weight 494.252 g/mol
Other names 1619942-25-4

 

Representations
Smiles C=C1C(=O)O[C@@]23CC[C@@H]4[C@](C)(C(=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3
Inchi InChI=1S/C26H38O9/c1-13-14-5-6-17-24(2)8-4-9-25(3,16(24)7-10-26(17,11-14)35-21(13)31)23(32)34-22-20(30)19(29)18(28)15(12-27)33-22/h14-20,22,27-30H,1,4-12H2,2-3H3/t14-,15-,16+,17+,18-,19+,20-,22+,24-,25-,26-/m1/s1
Inchi Key IYRQSYOTMRHUMK-LFKAKRLXSA-N
3D Structure

 

Calculated Properties
clogP 1.20
TPSA 142.75
HBD 4
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
10442 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