Spirostan-12-one, 3-((O-beta-D-xylopyranosyl-(1-2)-O-beta-glucopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranosyl)oxy)-, (3-beta,5-alpha,25R)-

Base Information

• Chemical Name: Spirostan-12-one, 3-((O-beta-D-xylopyranosyl-(1-2)-O-beta-glucopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranosyl)oxy)-, (3-beta,5-alpha,25R)-
• CAS No.: 58546-17-1
• Deprecated CAS: 75215-99-5
• Molecular Formula: C50H80 O23
• DSSTox Substance ID: DTXSID30974104
• Mol file: 58546-17-1.mol

Synonyms:BRN 1615581;Spirostan-12-one, 3-((O-beta-D-xylopyranosyl-(1-2)-O-beta-glucopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranosyl)oxy)-, (3-beta,5-alpha,25R)-;DTXSID30974104;C50H80O23;12-Oxospirostan-3-yl pentopyranosyl-(1->3)hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranoside

Chemical Property of Spirostan-12-one, 3-((O-beta-D-xylopyranosyl-(1-2)-O-beta-glucopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranosyl)oxy)-, (3-beta,5-alpha,25R)-

Chemical Property:

• XLogP3: -2.6
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 23
• Rotatable Bond Count: 11
• Exact Mass: 1048.50903879
• Heavy Atom Count: 73
• Complexity: 1920

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2(C(C3C(O2)CC4C3(C(=O)CC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)OC9C(C(C(C(O9)CO)O)OC2C(C(C(CO2)O)O)O)O)O)O)O)O)C)C)C)OC1