Negundoside

Base Information

• Chemical Name: Negundoside
• CAS No.: 82451-20-5
• Molecular Formula: C23H28O12
• Molecular Weight: 496.468
• Hs Code.: 2938900000
• UNII: 78XBW51XWI
• Wikidata: Q105235292
• Metabolomics Workbench ID: 141890
• ChEMBL ID: CHEMBL519878
• Mol file: 82451-20-5.mol

Synonyms:negundoside

Chemical Property of Negundoside

Chemical Property:

• PSA: 192.44000
• LogP: -0.52480
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 496.15807632
• Heavy Atom Count: 35
• Complexity: 823

Purity/Quality:

98%Min ^*data from raw suppliers

Negundoside analytical standard ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)OC(=O)C4=CC=C(C=C4)O)O
• Isomeric SMILES: C[C@@]1(CC[C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)C4=CC=C(C=C4)O)O