Compound: lanatoside C
SMILES: O=C1OCC(=C1)[C@@H]2[C@@]3([C@@](O)([C@H]4[C@@H]([C@@]5([C@@H](C[C@@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@@H]([C@@H](O[C@@H]8O[C@@H]([C@@H](O[C@@H]9O[C@@H]([C@@H](O)[C@@H]([C@H]9O)O)CO)[C@H](C8)OC(=O)C)C)[C@H](C7)O)C)[C@H](C6)O)C)CC5)CC4)C)C[C@H]3O)CC2)C
InChIKey: JAYAGJDXJIDEKI-PTGWOZRBSA-N
Synonyms: lanatoside C, 17575-22-3, Isolanid, Cedilanid, Celadigal, Isolanide, Allocor, Cetosanol, Lanimerck, Lanatosido C, Lanatigen C, Celanidum, Digilanogen C, Lanatosidum C, DTXSID7023198, 5RR3JFZ771, Lanatoside c jp 17, NSC-7533, NSC-119991, DTXCID403198, RefChem:798429, C01AA06, 241-546-1, 3-((O beta-D-glucopyranosyl-(1-4)-O-3 beta-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12 beta,14-dihydroxy-5 beta-card-20(22)-enolide, ((2R,3R,4S,6S)-6-((2R,3S,4S,6S)-6-((2R,3S,4S,6R)-6-(((3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta(a)phenanthren-3-yl)oxy)-4-hydroxy-2-methyloxan-3-yl)oxy-4-hydroxy-2-methyloxan-3-yl)oxy-2-methyl-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-4-yl) acetate, ((2R,3R,4S,6S)-6-((2R,3S,4S,6S)-6-((2R,3S,4S,6R)-6-(((3S,5S,8S,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta(a)phenanthren-3-yl)oxy)-4-hydroxy-2-methyloxan-3-yl)oxy-4-hydroxy-2-methyloxan-3-yl)oxy-2-methyl-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-4-yl) acetate, Lanatosid C, Ceglunate, MFCD00869432, Celanid, Lanocide-C, Desacetyllanatoside, C49H76O20, Digilanid C, LANATOSIDE-C, Digoxin EP Impurity H, (3beta,5beta,12beta)-3-[(O-beta-D-Glucopyranosyl-(1-->4)-O-3-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxycard-20(22)-enolide, Lanatosid C [German], Lanatosidum C [INN-Latin], UNII-5RR3JFZ771, Lanatosido C [INN-Spanish], Digoxin impurity H, NCGC00094932-01, EINECS 241-546-1, Digilanogen C (TN), NSC 119991, Lanatoside C [INN:BAN:DCF:JAN:NF], Lanatoside C (Standard), Lanatoside C, >=95%, LANATOSIDE C [MI], Lanatoside C (JAN/INN), LANATOSIDE C [INN], LANATOSIDE C [JAN], SCHEMBL44110, LANATOSIDE C [MART.], LANATOSIDE C [WHO-DD], CHEMBL506569, orb1307821, orb3140364, HY-B1030R, BDBM430643, GLXC-10091, HMS3714C13, HY-B1030, LANATOSIDE C JP 17 [JAN], Tox21_111361, s5554, AKOS030526106, CCG-220656, CS-4548, DB13467, EBC-157265, OL09899, DIGOXIN IMPURITY H [EP IMPURITY], AS-35298, NS00025765, D01972, Q6482953, Z2681892181, Glycoside obtained from the leaves of Digitalis lanata Ehrh, (3|_,5|_,12|_)-3-[(O-|_-D-Glucopyranosyl-(1 inverted exclamation marku4)-O-3-O-acetyl-2,6-dideoxy-|_-D-ribo-hexopyranosyl-(1 inverted exclamation marku4)-O-2,6-dideoxy-|_-D-ribo-hexopyranosyl-(1 inverted exclamation marku4)-2,6-dideoxy-|_-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxycard-20(22)-enolide, (3beta,5beta,12beta)-3-{[beta-D-glucopyranosyl-(1->4)-3-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide, 3-((O beta-D-Glucopyranosyl-(1-4)-O-3beta-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12beta,14-dihydroxy-5beta-card-20(22)-enolide, 3.BETA.-((.BETA.-D-GLUCOPYRANOSYL-(1->4)-3-O-ACETYL-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-12.BETA.,14-DIHYDROXY-5.BETA.-CARD-20(22)-ENOLIDE, 3beta-{[beta-D-Glucopyranosyl-(1->4)-3-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12beta,14-dihydroxy-5beta-card-20(22)-enolide, Card-20(22)-enolide, 3-((O-beta-D-glucopyranosyl-(1-4)-O-3-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-
Theoretical properties:
molecular_formula: C49H76O20
molecular_weight: 985.1 g/mol
exact_mass: 984.49299481 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 8
hydrogen_bond_acceptor_count: 20
rotatable_bond_count: 12
heavy_atom_count: 69
topological_polar_surface_area: 288 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: LANATOSIDE C is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Lanatoside C (or isolanid) is a cardiac glycoside, a type of drug that can be used in the treatment of congestive heart failure and cardiac arrhythmia (irregular heartbeat). Lanatoside C can be used orally or by the intravenous route. It is marketed in a number of countries and is also available in generic form. Its main indications are rapid response atrial fibrilation and paroxysmal supraventricular tachycardia, two common types of arrhythmia.
It is found in Digitalis lanata.