Olaxoside

Base Information

• Chemical Name: Olaxoside
• CAS No.: 80135-33-7
• Molecular Formula: C48H76O18
• Molecular Weight: 941.121
• DSSTox Substance ID: DTXSID30331677
• Nikkaji Number: J766.070G
• Wikidata: Q27107573
• Mol file: 80135-33-7.mol

Synonyms:Olaxoside;80135-33-7;(2S,3S,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid;C08962;CHEBI:7736;DTXSID30331677;Q27107573

Chemical Property of Olaxoside

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 988.7°Cat760mmHg
• Flash Point: 280.3°C
• Density: 1.41g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 9
• Exact Mass: 940.50316557
• Heavy Atom Count: 66
• Complexity: 1860

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2C(=O)O)OC3CCC4(C(C3(C)C)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C)O)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2C(=O)O)O[C@H]3CC[C@]4([C@H](C3(C)C)CC[C@@]5([C@@H]4CC=C6[C@]5(CC[C@@]7([C@H]6CC(CC7)(C)C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)C)O)O)O)O)O