4H-1-BEnzopyran-4-one, 3-[(6-deoxy-2-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-

Base Information

• Chemical Name: 4H-1-BEnzopyran-4-one, 3-[(6-deoxy-2-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-
• CAS No.: 113558-10-4
• Molecular Formula: C32H38 O15
• Molecular Weight: 662.6351
• Nikkaji Number: J770.932C
• Mol file: 113558-10-4.mol

Synonyms:4H-1-BEnzopyran-4-one, 3-[(6-deoxy-2-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-;AKOS040736290;3-[(2S,3R,4R,5R,6S)-4,5-Dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one

Chemical Property of 4H-1-BEnzopyran-4-one, 3-[(6-deoxy-2-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 955.5°Cat760mmHg
• Flash Point: 305.6°C
• Density: 1.61g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 8
• Exact Mass: 662.22107050
• Heavy Atom Count: 47
• Complexity: 1150

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2=C(OC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)C4=CC=C(C=C4)O)OC5C(C(C(C(O5)CO)O)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)C4=CC=C(C=C4)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O

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