Isocytisoside
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Basic information
- CAS
4328-19-2- Standard SMILES
COc1ccc(-c2cc(=O)c3c(O)c([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)cc3o2)cc1- InChIKey
AQHMJUSCGYYXRM-DGHBBABESA-N- Molecular formula
- C22H22O10
- Average molar mass
- 446.4 g/mol
- Monoisotopic mass
- 446.12129689
Overview
isocytisoside has been reported in Asphodelus ramosus with data available.
Names & identifiers
- Preferred name
- Isocytisoside
- IUPAC
- 5,7-dihydroxy-2-(4-methoxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
- English name
- isocytisoside
- Molecular formula
- C22H22O10
- Molecular weight
- 446.4
Names & synonyms
Isocytisoside4328-19-25,7-dihydroxy-2-(4-methoxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one5,7-dihydroxy-2-(4-methoxyphenyl)-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)chromen-4-oneRefChem:1492446-beta-D-Glucopyranosyl-5,7-dihydroxy-4'-methoxyflavoneAcacetin-6-C-glucosideDTXSID509629825,7-Dihydroxy-2-(4-methoxyphenyl)-6-((2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-4H-chromen-4-oneLMPK12110432Flavone, 6-beta-D-glucopyranosyl-5,7-dihydroxy-4'-methoxy-1,5-Anhydro-1-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]hexitol
Show more names
6-β-D-Glucopyranosyl-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 6-β-D-glucopyranosyl-5,7-dihydroxy-2-(4-methoxyphenyl)-2-(4-Methoxyphenyl)-6-(β-D-glucopyranosyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
(1S)-1,5-Anhydro-1-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-D-glucitol
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 705
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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