Multiflorin A
Basic information
- CAS
61358-52-9- Standard SMILES
CC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)O[C@H]2C)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
KXOPSQZLBRPJGX-KEBUVGJQSA-N- Molecular formula
- C29H32O16
- Average molar mass
- 636.6 g/mol
- Monoisotopic mass
- 636.16903493
Overview
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate has been reported in Rosa multiflora, Rhamnus leptophylla, and other organisms with data available.
Names & identifiers
- Preferred name
- Multiflorin A
- IUPAC
- [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
- English name
- 4H-1-Benzopyran-4-one, 3-[[4-O-(6-O-acetyl-β-D-glucopyranosyl)-6-deoxy-α-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
- Molecular formula
- C29H32O16
- Molecular weight
- 636.56
Names & synonyms
Multiflorin A1350028-90-8Multiflorin A (Prunuside A)[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate61358-52-9orb1943024SCHEMBL8221364DTXSID90976886HY-N12326LMPK12111899DA-55766CS-0897797
Show more names
Prunuside AGossypetin Impurity 14H-1-Benzopyran-4-one, 3-[[4-O-(6-O-acetyl-β-D-glucopyranosyl)-6-deoxy-α-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
T817413-[4-O-(6-O-Acetyl-beta-D-glucopyranosyl)-alpha-L-rhamnopyranosyloxy]-4',5,7-trihydroxyflavone5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 4-O-(6-O-acetyl-beta-D-glucopyranosyl)-6-deoxy-alpha-L-mannopyranoside5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 4-O-(6-O-acetylhexopyranosyl)-6-deoxyhexopyranoside
Database identifiers
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 251 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 8
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,090
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Physicochemical properties
- Boiling point
- 931.2 · 931.2±65.0 °C(Predicted)
- Density
- 1.69 · 1.69±0.1 g/cm3(Predicted)
- pka
- 6.2 · 6.20±0.40(Predicted)
Chemistry & industry
Applications
UsesMultiflorin A is an active ingredient derived from Pruni semen. Multiflorin A has laxative activity. Multiflorin A inhibits intestinal glucose absorption and promotes bacterial metabolism[1].
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…