3,5-Dihydroxy-7-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
Basic information
- CAS
184533-14-0- Standard SMILES
C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O)c(-c4cc(O)c(O)c(O)c4)oc3c2)[C@H](O)[C@H](O)[C@H]1O- InChIKey
LPEPTRFUOKMJCH-YDOQJWOYSA-N- Molecular formula
- C21H20O12
- Average molar mass
- 464.4 g/mol
- Monoisotopic mass
- 464.09547607
Overview
7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-3,5-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one has been reported in Myrsine africana and Limonium gmelini with data available.
Names & identifiers
- Preferred name
- 3,5-Dihydroxy-7-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
- IUPAC
- 3,5-dihydroxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
Names & synonyms
184533-14-0DTXSID4011153093,5-Dihydroxy-7-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one3,5-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-7-yl 6-deoxy-alpha-L-mannopyranoside7-[(6-Deoxy-I+/--L-mannopyranosyl)oxy]-3,5-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one
Database identifiers
- CAS
184533-14-0- PubChem CID
- 102444976
- DTXSID
DTXSID401115309- Nikkaji
- J789.602F
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 207 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 760
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…