Compound: peruvoside
SMILES: O=C1OCC(=C1)[C@@H]2[C@@]3([C@@](O)([C@H]4[C@@H]([C@]5(C=O)[C@@H](C[C@@H](O[C@@H]6O[C@H]([C@H](O)[C@H]([C@@H]6O)OC)C)CC5)CC4)CC3)CC2)C
InChIKey: PMTSPAGBAFCORP-HBUONDEYSA-N
Synonyms: peruvoside, Encordin, Peruvosid, 1182-87-2, Cannogenin thevetoside, Cannogenin alpha-L-thevetoside, CT36KGC6A6, (3S,5R,8R,9S,10R,13R,14S,17R)-3-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde, DTXSID70881388, (3S,5R,8R,9S,10R,13R,14S,17R)-3-((2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta(a)phenanthrene-10-carbaldehyde, RefChem:171875, DTXCID501022650, Card-20(22)-enolide, 3-((6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxy-19-oxo-, (3beta,5beta)-, (3S,5R,8R,9S,10R,13R,14S,17R)-3-((2S,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta(a)phenanthrene-10-carbaldehyde, 214-659-9, Cannogenin .alpha.-l-thevetoside, UNII-CT36KGC6A6, EINECS 214-659-9, PERUVOSIDE [MI], Cannogenin ?-L-thevetoside, PERUVOSIDE [WHO-DD], SCHEMBL700735, orb1990657, CHEMBL1075790, CHEBI:135825, MFCD00133752, DB13756, 3-((6-Deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxy-19-oxo-card-20(22)-enolide, (3S,5R,8R,9S,10R,13R,14S,17R)-3-[(2S,3R,4S,5R,6R)-3,5-Dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde, FD146105, HY-108016, CS-0027154, E88664, Q7171218, (3b,5b)-3-[(6-Deoxy-3-O-methyl-a-L-glucopyranosyl)oxy]-14-hydroxy-19-oxocard-20(22)-enolide, (3beta,5beta)-3-((6-Deoxy-3-O-methyl-alpha-L -glucopyranosyl)oxy)-14-hydroxy-19-oxocard-20(22)-enolide, (3S,5R,8R,9S,10R,13R,14S,17R)-3-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde, 3beta-[(6-Deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy]-14-hydroxy-19-oxo-5beta-card-20(22)-enolide, CARD-20(22)-ENOLIDE, 3-((6-DEOXY-3-O-METHYL-.ALPHA.-L-GLUCOPYRANOSYL)OXY)-14-HYDROXY-19-OXO-, (3.BETA.,5.BETA.)-, Card-20(22)-enolide, 3-((6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxy-19-oxo-, (3-beta,5-beta)-
Theoretical properties:
molecular_formula: C30H44O9
molecular_weight: 548.7 g/mol
exact_mass: 548.29853298 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 9
rotatable_bond_count: 5
heavy_atom_count: 39
topological_polar_surface_area: 132 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Peruvoside is a cardenolide glycoside.
chembl: PERUVOSIDE is a small molecule listed in the ChEMBL database and has reached clinical trial phase -1.0.
wikipedia: Peruvoside (or cannogenin thevetoside) is a cardiac glycoside for heart failure.
It is derived from Cascabela thevetia (Thevetia neriifolia).