Apigenin 7-(2'',3''-diacetylglucoside)
Basic information
- CAS
84323-20-6- Standard SMILES
CC(=O)O[C@H]1[C@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)O[C@H](CO)[C@@H](O)[C@@H]1OC(C)=O- InChIKey
RLRNEHZJFFGOEN-PRDVQWLOSA-N- Molecular formula
- C25H24O12
- Average molar mass
- 516.4 g/mol
- Monoisotopic mass
- 516.1267762
Overview
Apigenin 7-(2,3-diacetylglucoside) has been reported in Matricaria chamomilla with data available.
Names & identifiers
- Preferred name
- Apigenin 7-(2'',3''-diacetylglucoside)
- IUPAC
- [(2S,3R,4S,5R,6R)-3-acetyloxy-5-hydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-6-(hydroxymethyl)oxan-4-yl] acetate
Names & synonyms
Apigenin 7-(2'',3''-diacetylglucoside)DTXSID601117220LMPK1211038284323-20-65-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2,3-di-O-acetyl-beta-D-glucopyranoside7-[(2,3-Di-O-acetyl-I(2)-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Database identifiers
- CAS
84323-20-6- PubChem CID
- 21721973
- DTXSID
DTXSID601117220- Nikkaji
- J550.099K
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 881
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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