Smyrindioloside

Base Information

• Chemical Name: Smyrindioloside
• CAS No.: 87592-77-6
• Molecular Formula: C20H24O10
• Molecular Weight: 424.39900
• DSSTox Substance ID: DTXSID101109563
• Nikkaji Number: J487.633D
• Wikidata: Q105142749
• Mol file: 87592-77-6.mol

Synonyms:Smyrindioloside;87592-77-6;(2S,3R)-3-hydroxy-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one;3-Hydroxymarmesinin;CHEBI:176057;DTXSID101109563;HY-N1234;AKOS032948594;MS-27456;CS-0016635;(2S,3R)-2-[1-(beta-D-Glucopyranosyloxy)-1-methylethyl]-2,3-dihydro-3-hydroxy-7H-furo[3,2-g][1]benzopyran-7-one;(2S,3R)-3-hydroxy-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrouro[3,2-g]chromen-7-one

Chemical Property of Smyrindioloside

Chemical Property:

• PSA: 159.05000
• LogP: -0.81750
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 424.13694696
• Heavy Atom Count: 30
• Complexity: 681

Purity/Quality:

98%min ^*data from raw suppliers

Smyrindioloside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)OC4C(C(C(C(O4)CO)O)O)O
• Isomeric SMILES: CC(C)([C@@H]1[C@@H](C2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O