Arvensoside A

Base Information

• Chemical Name: Arvensoside A
• CAS No.: 110219-89-1
• Molecular Formula: C48H78 O18
• Molecular Weight: 943.1221
• DSSTox Substance ID: DTXSID80331662
• Nikkaji Number: J451.222G
• Wikidata: Q27105851
• Mol file: 110219-89-1.mol

Synonyms:Arvensoside A;110219-89-1;[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;Olean-12-en-28-oic acid, 3-[(3-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy]-, beta-D-glucopyranosyl ester, (3beta)-;C08923;CHEBI:2856;DTXSID80331662;Q27105851

Chemical Property of Arvensoside A

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1002.8°C at 760 mmHg
• Flash Point: 284.3°C
• Density: 1.41g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 10
• Exact Mass: 942.51881563
• Heavy Atom Count: 66
• Complexity: 1800

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C
• Isomeric SMILES: C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O