Basic information
- CAS
1403981-95-2- Standard SMILES
O=C(O)[C@H]1O[C@@H](Oc2c(O)cc(O)c3c(=O)c(O)c(-c4cc(O)c(O)c(O)c4)oc23)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
RZEQJINQXOBMCE-ORYXKJSJSA-N- Molecular formula
- C21H18O15
- Average molar mass
- 510.4 g/mol
- Monoisotopic mass
- 510.06456986
Names & identifiers
- Preferred name
- Floramanoside C
- IUPAC
- (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3,5,7-trihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-8-yl]oxyoxane-2-carboxylic acid
- English name
- Floramanoside C
- Molecular formula
- C21H18O15
- Molecular weight
- 510.36
Names & synonyms
Floramanoside C1403981-95-23,5,7-Trihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-8-yl beta-D-glucopyranosiduronic acid(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3,5,7-trihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-8-yl]oxyoxane-2-carboxylic acid2P8RK4AF69orb2564140HY-N12472TN7686DA-63465CS-0908953H505793,5,7-Trihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-8-yl |A-D-glucopyranosiduronic acid
Show more names
3,5,7-Trihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-8-yl β-D-glucopyranosiduronic acidβ-D-Glucopyranosiduronic acid, 3,5,7-trihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-8-yl
beta-D-Glucopyranosiduronic acid, 3,5,7-trihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-8-yl
Database identifiers
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 264 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 881
Physicochemical properties
- Boiling point
- 1053.602 · 1053.602±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 2.065 · 2.065±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.728 · 2.728±0.70(predicted)
Chemistry & industry
Applications
UsesFloramanoside C shows 2,2-diphenyl-1-picrylhydrazyl scavenging and aldose reductase inhibitory activities[1].
Suppliers4 total
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
上海研生实业有限公司021-59989018 15201736385 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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