(3beta,4beta,21beta,22beta)-22-(alpha-L-Arabinopyranosyloxy)-21,23-dihydroxyolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-->2)-O-beta-D-galactopyranosyl-(1-->2)-beta-D-glucopyranosiduronic acid

Base Information

• Chemical Name: (3beta,4beta,21beta,22beta)-22-(alpha-L-Arabinopyranosyloxy)-21,23-dihydroxyolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-->2)-O-beta-D-galactopyranosyl-(1-->2)-beta-D-glucopyranosiduronic acid
• CAS No.: 168288-06-0
• Molecular Formula: C53H86 O23
• DSSTox Substance ID: DTXSID201099161
• Wikidata: Q104972269
• Mol file: 168288-06-0.mol

Synonyms:DTXSID201099161;168288-06-0;(3beta,4beta,21beta,22beta)-22-(alpha-L-Arabinopyranosyloxy)-21,23-dihydroxyolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-->2)-O-beta-D-galactopyranosyl-(1-->2)-beta-D-glucopyranosiduronic acid

Chemical Property of (3beta,4beta,21beta,22beta)-22-(alpha-L-Arabinopyranosyloxy)-21,23-dihydroxyolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-->2)-O-beta-D-galactopyranosyl-(1-->2)-beta-D-glucopyranosiduronic acid

Chemical Property:

• XLogP3: -0.3
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 23
• Rotatable Bond Count: 11
• Exact Mass: 1090.55598899
• Heavy Atom Count: 76
• Complexity: 2120

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(C(C8OC9C(C(C(CO9)O)O)O)O)(C)C)C)C)C)C)C(=O)O)O)O)CO)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]2O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O[C@H]4CC[C@]5([C@H]([C@@]4(C)CO)CC[C@@]6([C@@H]5CC=C7[C@]6(CC[C@@]8([C@H]7CC([C@H]([C@H]8O[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O)O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O