NaturAr
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General Characteristics
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
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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
Bioassays
Bioassay ID
NPASS ID
Target
Activity type
Activity