Transsylvanoside F

Base Information

• Chemical Name: Transsylvanoside F
• CAS No.: 167503-61-9
• Molecular Formula: C59H96 O27
• DSSTox Substance ID: DTXSID801098723
• Nikkaji Number: J672.782D
• Wikidata: Q105114312
• Mol file: 167503-61-9.mol

Synonyms:Transsylvanoside F;DTXSID801098723;167503-61-9;Olean-12-en-28-oic acid, 3-[(O-beta-D-glucopyranosyl-(1-->3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-->4)-beta-D-xylopyranosyl)oxy]-23-hydroxy-, 4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester, (3beta,4alpha)-

Chemical Property of Transsylvanoside F

Chemical Property:

• XLogP3: -1.9
• Hydrogen Bond Donor Count: 16
• Hydrogen Bond Acceptor Count: 27
• Rotatable Bond Count: 15
• Exact Mass: 1236.61389778
• Heavy Atom Count: 86
• Complexity: 2390

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2COC(C(C2O)O)OC3CCC4(C(C3(C)CO)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)OC8C(C(C(C(O8)CO)OC9C(C(C(C(O9)CO)O)O)O)O)O)C)C)C)O)OC1C(C(C(C(O1)CO)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O[C@H]3CC[C@]4([C@H]([C@]3(C)CO)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[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)C)C)C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O