3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-(beta-D-xylopyranosyloxy)-4H-1-benzopyran-4-one
Basic information
- CAS
132618-21-4- Standard SMILES
C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O- InChIKey
WIALSWOBTZTJMW-AJLBHKPASA-N- Molecular formula
- C26H28O14
- Average molar mass
- 564.5 g/mol
- Monoisotopic mass
- 564.14790556
Names & identifiers
- Preferred name
- 3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-(beta-D-xylopyranosyloxy)-4H-1-benzopyran-4-one
- IUPAC
- 5-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-7-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one
Names & synonyms
132618-21-43-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-7-(beta-D-xylopyranosyloxy)-4H-1-benzopyran-4-one3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-(beta-D-xylopyranosyloxy)-4H-1-benzopyran-4-oneRefChem:273002Kaempferol 3-rhamnoside-7-xylosideDTXSID301107682LMPK121118633-[(6-Deoxy-I+/--L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-(I(2)-D-xylopyranosyloxy)-4H-1-benzopyran-4-one
Database identifiers
- CAS
132618-21-4- PubChem CID
- 165367334
- DTXSID
DTXSID301107682
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 225 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 5
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 936
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
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Compound notes
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