General Characteristics
2D structure
NatID 1503
Common Name NatID_1503
Molecular Formula C32H42O9
Chemical Class Prenol lipids > Terpene glycosides
Molecular Weight 570.283 g/mol
Other names 202654-06-6

 

Representations
Smiles CC(=O)O[C@H]1O[C@@H]([C@@H](C)c2ccc3c(c2)CC[C@H]2[C@H]3C[C@@H](OC(C)=O)[C@@]3(O)CC=CC(=O)[C@]23C)C[C@@](C)(O)[C@]1(C)O
Inchi InChI=1S/C32H42O9/c1-17(25-16-29(4,36)31(6,37)28(41-25)40-19(3)34)20-9-11-22-21(14-20)10-12-24-23(22)15-27(39-18(2)33)32(38)13-7-8-26(35)30(24,32)5/h7-9,11,14,17,23-25,27-28,36-38H,10,12-13,15-16H2,1-6H3/t17-,23-,24-,25+,27+,28-,29+,30-,31+,32-/m0/s1
Inchi Key FFLGTXUBGDNZEQ-JQVVOQPMSA-N
3D Structure

 

Calculated Properties
clogP 3.22
TPSA 139.59
HBD 3
HBA 9
Rotatable Bonds 4
Aromatic Rings 1
Heavy Atoms 41
Aromatic Carbocycles 1
Aromatic Heterocycles 0
Number of NO 9

 

Experiments
EID Source Semisynthetic? Confidence level References
10169 Curvularia lunata No Low Basso, A. V., Nicotra, V. E., Parra, A., Martínez, A., & Fernández-Vivas, A. (2016). Biotransformation of Salpichrolides A, C, and G by Three Filamentous Fungi. Journal of Natural Products, 79(6), 1658–1667. https://doi.org/10.1021/acs.jnatprod.6b00310
10170 Rhizomucor miehei No Low Basso, A. V., Nicotra, V. E., Parra, A., Martínez, A., & Fernández-Vivas, A. (2016). Biotransformation of Salpichrolides A, C, and G by Three Filamentous Fungi. Journal of Natural Products, 79(6), 1658–1667. https://doi.org/10.1021/acs.jnatprod.6b00310
10171 Cunninghamella elegans No Low Basso, A. V., Nicotra, V. E., Parra, A., Martínez, A., & Fernández-Vivas, A. (2016). Biotransformation of Salpichrolides A, C, and G by Three Filamentous Fungi. Journal of Natural Products, 79(6), 1658–1667. https://doi.org/10.1021/acs.jnatprod.6b00310

 

Bioassay ID NPASS ID Target Activity type Activity