Lyalosidic acid

Base Information

• Chemical Name: Lyalosidic acid
• CAS No.: 104821-27-4
• Molecular Formula: C26H28 N2 O9
• Molecular Weight: 512.516
• DSSTox Substance ID: DTXSID101347238
• Nikkaji Number: J627.382C
• Wikidata: Q104399113

Synonyms:Lyalosidic acid;104821-27-4;CHEBI:184068;DTXSID101347238;(2S,3R,4S)-3-ethenyl-4-(9H-pyrido[3,4-b]indol-1-ylmethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid

Chemical Property of Lyalosidic acid

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 512.17948047
• Heavy Atom Count: 37
• Complexity: 871

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)O)CC3=NC=CC4=C3NC5=CC=CC=C45
• Isomeric SMILES: C=C[C@@H]1[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)O)CC3=NC=CC4=C3NC5=CC=CC=C45

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