Schimawalin B

Base Information

• Chemical Name: Schimawalin B
• CAS No.: 138614-71-8
• Molecular Formula: C75H52 O48
• Wikidata: Q104403098
• Mol file: 138614-71-8.mol

Synonyms:Schimawalin B;138614-71-8;[[6-[1-formyl-3,4,5-trihydroxy-2-(3,4,5-trihydroxybenzoyl)oxy-pentoxy]carbonyl-2,3,4-trihydroxy-phenoxy]-pentahydroxy-dioxo-bis[(3,4,5-trihydroxybenzoyl)oxy][?]yl] 3,4,5-trihydroxy-2-[trihydroxy(dioxo)[?]yl]oxy-benzoate

Chemical Property of Schimawalin B

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 26
• Hydrogen Bond Acceptor Count: 48
• Rotatable Bond Count: 24
• Exact Mass: 1720.1628034
• Heavy Atom Count: 123
• Complexity: 3770

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• Canonical SMILES: C1C(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)OC4C(C(C(OC4O1)OC(=O)C5=CC(=C(C(=C5OC6=C(C7=C8C(=C6)C(=O)OC9=C8C(=CC(=C9O)O)C(=O)O7)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)OC1=C(C(=C(C=C1C(=O)OC(C=O)C(C(C(CO)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O)O)O)O)O)O)O

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Get Best Price for 138614-71-8 D-Glucose,2-[2-[[(1S)-6,6'-dicarboxy-2,2',3,3',4'-pentahydroxy[1,1'-biphenyl]-4-yl]oxy]-3,4,5-trihydroxybenzoate]3-(3,4,5-trihydroxybenzoate), cyclic 26®4:26'®6-ester with b-D-glucopyranose1-[2-[(5,10-dihydro-3,7,8-trihydroxy-5,10-dioxo[1]benzopyrano[5,4,3-cde][1]benzopyran-2-yl)oxy]-3,4,5-trihydroxybenzoate]2,3-bis(3,4,5-trihydroxybenzoate) (9CI)

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