Glycosyl compounds
Tribenoside, TRC
CAS: 10310-32-4 Molecular Formula: C29H34O6 Molecular Weight (g/mol): 478.58 Synonym: Alven,Ba 21401,Ethyl 3,5,6-tris-O-(phenylmethyl)-D-glucofuranoside,Ethyl 3,5,6-tri-O-benzyl-D-glucofuranoside,Flebosan,Glivenol,Glyvenal,Hemocuron,TBGF,Venex IUPAC Name: (3R,4R,5R)-4-(benzyloxy)-5-((R)-1,2-bis(benzyloxy)ethyl)-2-ethoxytetrahydrofuran-3-ol SMILES: CCOC1O[C@@]([C@@H](COCC2=CC=CC=C2)OCC3=CC=CC=C3)([H])[C@H](OCC4=CC=CC=C4)[C@H]1O
Methylcellulose, TRC
CAS: 9004-67-5 Molecular Formula: C20H38O11 Molecular Weight (g/mol): 454.5 Synonym: Adulsin,Avicel SG,Bagolax,Benecel 143HR,Benecel M 0,Benecel M 011,Benecel M 02,Benecel M 021,Benecel M 043,Benecel MC 4000PS,Benecel MO 42,Bufapto Methalose,Bulkaloid,Celacol M;,Methocel 4C,Methocel 64625,Methocel A,Methocel A 100,Methocel A 125LV,Methocel A 15,Methocel A 15C,Methocel A 15C Premium,Methocel A 15FG,Methocel A 15LV,Methocel A 15LV Premium,Methocel A 40M,Methocel A 4C,Methocel A 4C Premium,Methocel A 4C-FG,Methocel A 4M,Methocel A 4M Premium,Methocel A 50,Methocel AC Premium,Methocel CHG,Methocel Fluka 64625,Methocel HPM 500DS,Methocel HPM 50DS,Metolose SM 100,Metolose SM 10000,Metolose SM 15,Metolose SM 1500,Metolose SM 25,Metolose SM 4,Metolose SM 400,Metolose SM 4000,Metolose SM 65-15,Metolose SM 800,Metolose SM 8000,Metolose SR,Napolone,Nicel,O-Methylcellulose,Probe D,Rhomellose,SBQ 30000PE,SM 100,SM 10000,SM 100000,SM 15Tylose SAP,Tylose SL,Tylose SL 100,Tylose SL 400,Tylose SL 600,Tylose TWA,V 32,V 32 (cellulose derivative),Viscol,Viscontran L 52,Viscontran MC 400,Viscosol,Viskontran MC 10S,Walocel M,Walocel M 20678,Walsroder MC 20000S,XT 6000 SMILES: COCC1C(C(C(C(O1)OC2C(OC(C(C2OC)OC)OC)COC)OC)OC)OC
Dapagliflozin, TRC
CAS: 461432-26-8 Molecular Formula: C21 H25 Cl O6 Molecular Weight (g/mol): 408.87 Synonym: (1S)-1,5-Anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-D-glucitol,(2S,3R,4R,5S,6R)-2-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol,(2S,3R,4R,5S,6R)-2-[4-Chloro-3-(4-ethoxybenzyl)phenyl]-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol,BMS 512148,Dapagliflozin,Farxiga IUPAC Name: (2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol SMILES: CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc1
Gastrodin, TRC
CAS: 62499-27-8 Molecular Formula: C13 H18 O7 Molecular Weight (g/mol): 286.28 Synonym: β-D-Glucopyranoside, 4-(hydroxymethyl)phenyl,4-(Hydroxymethyl)phenyl β-D-glucopyranoside,4-(β-D-Glucopyranosyl)-benzylalcohol,4-(β-D-Glucopyranosyloxy)benzyl alcohol,4-Hydroxybenzyl alcohol 4-O-β-D-glucopyranoside,Gastrodin IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]oxane-3,4,5-triol SMILES: OC[C@H]1O[C@@H](Oc2ccc(CO)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Isomaltose, TRC
CAS: 499-40-1 Molecular Formula: C12 H22 O11 Molecular Weight (g/mol): 342.3 Synonym: Isomaltose,Isomaltose (8CI),6-O-α-D-Glucopyranosyl-D-glucose,D-Isomaltose,D-Glucose, 6-O-α-D-glucopyranosyl- IUPAC Name: (3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol SMILES: OC[C@H]1O[C@H](OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Empagliflozin, TRC
CAS: 864070-44-0 Molecular Formula: C23 H27 Cl O7 Molecular Weight (g/mol): 450.91 Synonym: D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-, (1S)-,(1S)-1,5-Anhydro-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-D-glucitol,BI 10773,Empagliflozin,Jardiance IUPAC Name: (2S,3R,4R,5S,6R)-2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2
Linamarin, TRC
CAS: 554-35-8 Molecular Formula: C10 H17 N O6 Molecular Weight (g/mol): 247.25 IUPAC Name: 2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanenitrile SMILES: CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C#N
Convicine, TRC
CAS: 19286-37-4 Molecular Formula: C10 H15 N3 O8 Molecular Weight (g/mol): 305.24 Synonym: 2,4(1H,3H)-Pyrimidinedione, 6-amino-5-(β-D-glucopyranosyloxy)-,Convicine (7CI,8CI),6-Amino-5-(β-D-glucopyranosyloxy)-2,4(1H,3H)-pyrimidinedione,6-Amino-5-(β-D-glucopyranosyloxy)-2,4-1H,3H-pyrimidinedione IUPAC Name: 6-amino-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrimidine-2,4-dione SMILES: NC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)NC(=O)N1
Salidroside, TRC
CAS: 10338-51-9 Molecular Formula: C14 H20 O7 Molecular Weight (g/mol): 300.3 Synonym: Salidroside, Sallidroside, Tyrosol alpha-(beta-D-glucopyranoside), Rhodioloside, Rhodosin, 4-Hydroxy-phenyl-2-ethyl-beta-D-glucopyranoside, 2-(4-Hydroxyphenyl)ethyl-beta-D-glucopyranoside, p-Hydroxyphenethyl Glucopyranoside, 2-(4-Hydroxyphenyl)ethyl beta-D-Glucopyranoside,2-(4-Hydroxyphenyl)ethyl-β-D-glucopyranoside,4-Hydroxy-phenyl-2-ethyl-β-D-glucopyranoside,Tyrosol α-(β-D-Glucopyranoside) IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol SMILES: OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
(R)-Prunasin, TRC
CAS: 99-18-3 Molecular Formula: C14 H17 N O6 Molecular Weight (g/mol): 295.29 IUPAC Name: (2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile SMILES: OC[C@H]1O[C@@H](O[C@@H](C#N)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
(S)-Prunasin, TRC
CAS: 99-19-4 Molecular Formula: C14H17NO6 Molecular Weight (g/mol): 295.29 Synonym: (αS)-α-(β-D-Glucopyranosyloxy)benzeneacetonitrile,L-Prunasin,Sambunigrin,(2S)-Sambunigrin; IUPAC Name: (2S)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile SMILES: C1=CC=C(C=C1)[C@@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
1R-Dapagliflozin, TRC
CAS: 1373321-04-0 Molecular Formula: C21H25ClO6 Molecular Weight (g/mol): 408.88 Synonym: (2R,3R,4R,5S,6R)-2-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol IUPAC Name: (2R,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol SMILES: CCOc1ccc(Cc2cc(ccc2Cl)[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc1
(R)-Lotaustralin, TRC
CAS: 534-67-8 Molecular Formula: C11 H19 N O6 Molecular Weight (g/mol): 261.27 Synonym: 2-(β-D-Glucopyranosyloxy)-2-methylbutyronitrile,2-(β-D-Glucopyranosyloxy)-2-methyl-butanenitrile; IUPAC Name: 2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanenitrile SMILES: CCC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C#N
Syringol Gentiobioside, TRC
CAS: 1416253-72-9 Molecular Formula: C20 H30 O13 Molecular Weight (g/mol): 478.444 Synonym: (2S,3R,4S,5S,6R)-2-(2,6-Dimethoxyphenoxy)-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-3,4,5-triol,Syringol Gentobioside IUPAC Name: (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-(2,6-dimethoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol SMILES: COc1cccc(OC)c1O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O
Clindamycin Hydrochloride, TRC
CAS: 21462-39-5 Molecular Formula: C18 H33 Cl N2 O5 S . Cl H Molecular Weight (g/mol): 461.44 Synonym: L-threo-α-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-(1-methyl-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-, monohydrochloride, trans- α- (8CI),L-threo-α-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-[[(1-methyl-4-propyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-, monohydrochloride, (2S-trans)-,L-threo-α-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-[[[(2S,4R)-1-methyl-4-propyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-, monohydrochloride (9CI),7(S)-Chloro-7-deoxylincomycin hydrochloride,7-Chloro-7-deoxylincomycin hydrochloride,Antirobe vet.,Cleocin hydrochloride,Clinacin,Clindamycin hydrochloride,Clindavet,Clindimycin hydrochloride,Clindomycin hydrochloride,Dalacina IUPAC Name: (2S,4R)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide;hydrochloride SMILES: Cl.CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O