Eclalbasaponin III

Base Information

• Chemical Name: Eclalbasaponin III
• CAS No.: 158511-60-5
• Molecular Formula: C48H78 O19
• DSSTox Substance ID: DTXSID701316011
• Nikkaji Number: J1.901.478I
• ChEMBL ID: CHEMBL3343917
• Mol file: 158511-60-5.mol

Synonyms:Eclalbasaponin III;158511-60-5;Olean-12-en-28-oic acid, 3-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-16-hydroxy-, beta-D-glucopyranosyl ester, (3beta,16alpha)-;CHEMBL3343917;DTXSID701316011

Chemical Property of Eclalbasaponin III

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 10
• Exact Mass: 958.51373025
• Heavy Atom Count: 67
• Complexity: 1830

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)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(C[C@H]([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)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O