Tubuloside B

Base Information

• Chemical Name: Tubuloside B
• CAS No.: 112516-04-8
• Molecular Formula: C31H38 O16
• Molecular Weight: 666.633
• DSSTox Substance ID: DTXSID101317992
• Nikkaji Number: J797.505H
• Wikidata: Q105027360
• Mol file: 112516-04-8.mol

Synonyms:tubuloside B

Chemical Property of Tubuloside B

Chemical Property:

• XLogP3: 0.1
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 13
• Exact Mass: 666.21598512
• Heavy Atom Count: 47
• Complexity: 1040

Purity/Quality:

≥97% by HPLC ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C)OCCC3=CC(=C(C=C3)O)O)COC(=O)C=CC4=CC(=C(C=C4)O)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](O[C@H]([C@@H]2OC(=O)C)OCCC3=CC(=C(C=C3)O)O)COC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O)O