beta-Hydroxyacteoside

Base Information

• Chemical Name: beta-Hydroxyacteoside
• CAS No.: 95587-86-3
• Molecular Formula: C₂₉H₃₆O₁₆
• Molecular Weight: 640.595
• NSC Number: 729647
• DSSTox Substance ID: DTXSID20434020
• Nikkaji Number: J446.229G
• Wikidata: Q27155116
• Mol file: 95587-86-3.mol

Synonyms:campneoside II

Chemical Property of beta-Hydroxyacteoside

Chemical Property:

• PSA: 265.52000
• LogP: -1.52500
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 11
• Exact Mass: 640.20033506
• Heavy Atom Count: 45
• Complexity: 969

Purity/Quality:

≥98% 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=CC3=CC(=C(C=C3)O)O)CO)OCC(C4=CC(=C(C=C4)O)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=C/C3=CC(=C(C=C3)O)O)CO)OCC(C4=CC(=C(C=C4)O)O)O)O)O)O)O