Basic information
- CAS
192224-98-9- Standard SMILES
COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OC1OC(C)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O- InChIKey
HKKXKZVCSZYRHK-UHFFFAOYSA-N- Molecular formula
- C28H32O13
- Average molar mass
- 576.5 g/mol
- Monoisotopic mass
- 576.18429107
Overview
6-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-5-hydroxy-7-methoxy-2-phenyl-4H-chromen-4-one is a glycoside and a member of flavonoids.
Names & identifiers
- Preferred name
- Negletein 6-[rhamnosyl-(1->2)-fucoside]
- IUPAC
- 6-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one
Names & synonyms
CHEBI:184645Negletein 6-[rhamnosyl-(1->2)-fucoside]6-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-5-hydroxy-7-methoxy-2-phenyl-4H-chromen-4-one6-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one
Database identifiers
- CAS
192224-98-9- PubChem CID
- 85202062
- ChEBI
CHEBI:184645
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 194 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 6
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 940
Experimental & physicochemical properties
Melting Point238 - 239.3 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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