Stigmasterol glucoside

Base Information

• Chemical Name: Stigmasterol glucoside
• CAS No.: 19716-26-8
• Molecular Formula: C₃₅H₅₈O₆
• Molecular Weight: 574.842
• DSSTox Substance ID: DTXSID601289039
• Nikkaji Number: J1.095.690K,J489.506A
• Wikidata: Q27136880
• Metabolomics Workbench ID: 134496
• ChEMBL ID: CHEMBL447335
• Mol file: 19716-26-8.mol

Synonyms:Stigmasterol glucoside;19716-26-8;stigmasterol 3-O-beta-D-glucoside;CHEMBL447335;CHEBI:68383;stigmasterol 3-O-beta-D-glucopyranoside;Prosaponin;C35-H58-O6;Stigmasterol 3-glucoside;stigmasteryl 3-beta-D-glucoside;DTXSID601289039;HY-N1200;BDBM50357395;3-O-beta-D-glucopyranosylstigmasterol;AKOS037515192;Stigmasteryl-3-O-beta-D-glucopyranoside;(2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol;MS-30354;stigma-5,22-dien-3-beta-D-glucopyranoside;CS-0016492;Stigmasta-5,22-dien-3-O-.beta.-D-glucopyranoside;Q27136880;(3beta,22E)-stigmasta-5,22-dien-3-yl beta-D-glucopyranoside;(2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

Chemical Property of Stigmasterol glucoside

Chemical Property:

• Vapor Pressure: 4.94E-21mmHg at 25°C
• Melting Point: 299 °C
• Boiling Point: 673.6°Cat760mmHg
• PKA: 12.91±0.70(Predicted)
• Flash Point: 361.2°C
• PSA: 99.38000
• Density: 1.14g/cm³
• LogP: 5.62500
• XLogP3: 7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 574.42333957
• Heavy Atom Count: 41
• Complexity: 962

Purity/Quality:

99% ^*data from raw suppliers

Stigmasterol glucoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C
• Isomeric SMILES: CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C(C)C