Rhamnetin 3-O-rutinoside
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Basic information
- CAS
34202-83-0- Standard SMILES
COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(O)c3)oc2c1- InChIKey
LVRWOUXRNRBDNV-GEBJFKNCSA-N- Molecular formula
- C28H32O16
- Average molar mass
- 624.5 g/mol
- Monoisotopic mass
- 624.16903493
Overview
rhamnetin-3-rutinoside has been reported in Phragmites australis with data available.
Names & identifiers
- Preferred name
- Rhamnetin 3-O-rutinoside
- IUPAC
- 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
- English name
- 4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-
- Molecular formula
- C28H32O16
- Molecular weight
- 624.55
Names & synonyms
7-O-MethylrutinRhamnetin 3-O-rutinoside34202-83-0Rhamnetin-3-rutinosideRhamnetin 3-rutinosideMEGxp0_001452orb1991711ACon1_000351DTXSID901313213LMPK12112609AKOS040735048NCGC00169159-01
Show more names
4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-
XR161585H84724T125008BRD-K62914941-001-01-22-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside3-[[6-O-(6-Deoxy-?-L-mannopyranosyl)-?-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H -1-benzopyran-4-one4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-
Database identifiers
- CAS
Properties
Computed structural propertiesFilling in
- XLogP
- -1
- Topological polar surface area
- 255 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 7
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,040
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Physicochemical properties
- Boiling point
- 973.6 · 973.6±65.0 °C(Predicted)
- Density
- 1.74 · 1.74±0.1 g/cm3(Predicted)
- pka
- 6.01 · 6.01±0.40(Predicted)
- InChIKey
- LVRWOUXRNRBDNV-MCZPZOQCNA-N
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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