General Characteristics
2D structure
NatID 968
Common Name NatID_968
Molecular Formula C38H46O13
Chemical Class Carboxylic acids and derivatives > Pentacarboxylic acids and derivatives
Molecular Weight 710.294 g/mol
Other names

 

Representations
Smiles CC/C=C(\OC(C)=O)C1=C(OC(C)=O)C(C)(CC=C(C)C)C(OC(C)=O)=C(Cc2c(OC)cc(OC(C)=O)c(C(=O)CCC)c2OC(C)=O)C1=O
Inchi InChI=1S/C38H46O13/c1-12-14-28(44)32-31(48-22(6)40)19-30(46-11)26(35(32)49-23(7)41)18-27-34(45)33(29(15-13-2)47-21(5)39)37(51-25(9)43)38(10,17-16-20(3)4)36(27)50-24(8)42/h15-16,19H,12-14,17-18H2,1-11H3/b29-15-
Inchi Key DWBLEXGMPVWNJH-FDVSRXAVSA-N
3D Structure

 

Calculated Properties
clogP 6.51
TPSA 174.87
HBD 0
HBA 13
Rotatable Bonds 15
Aromatic Rings 1
Heavy Atoms 51
Aromatic Carbocycles 1
Aromatic Heterocycles 0
Number of NO 13

 

Experiments
EID Source Semisynthetic? Confidence level References
9058 Elaphoglossum piloselloides No Very High Socolsky, C., Borkosky, S. A., Asakawa, Y., & Bardón, A. (2009). Molluscicidal Phloroglucinols from the Fern Elaphoglossum piloselloides. Journal of Natural Products, 72(4), 787–790. https://doi.org/10.1021/np800724h

 

Bioassay ID NPASS ID Target Activity type Activity