Compound: Spiraeoside
SMILES: O=c1c(O)c(oc2c1c(O)cc(c2)O)-c3cc(O)c(O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO)cc3
InChIKey: OIUBYZLTFSLSBY-HMGRVEAOSA-N
Synonyms: Spiraeoside, 20229-56-5, Quercetin 4'-O-glucoside, Quercetin-4'-glucoside, DTXSID00174078, K2B74751XI, 3,5,7-trihydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one, 4H-1-Benzopyran-4-one, 2-(4-(beta-D-glucopyranosyloxy)-3-hydroxyphenyl)-3,5,7-trihydroxy-, 4H-1-Benzopyran-4-one, 2-[4-(beta-D-glucopyranosyloxy)-3-hydroxyphenyl]-3,5,7-trihydroxy-, 3,5,7-trihydroxy-2-(3-hydroxy-4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)chromen-4-one, RefChem:50432, DTXCID5096569, 3,5,7-trihydroxy-2-(3-hydroxy-4-((2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)chromen-4-one, 243-614-6, Spiraein, Spiraeosid, Quercetin 4'-glucoside, MFCD00221723, quercetin 4'-O-beta-D-glucopyranoside, CHEMBL402947, Spireoside, Spiraein (Acacia), 3,5,7-Trihydroxy-2-(3-hydroxy-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-4H-chromen-4-one, quercetin-4'-o-glucoside, EINECS 243-614-6, Quercetin 4'-b-D-glucoside, UNII-K2B74751XI, 4H-1-BENZOPYRAN-4-ONE, 2-(4-(.BETA.-D-GLUCOPYRANOSYLOXY)-3-HYDROXYPHENYL)-3,5,7-TRIHYDROXY-, 4H-1-Benzopyran-4-one, 2-[4-(.beta.-D-glucopyranosyloxy)-3-hydroxyphenyl]-3,5,7-trihydroxy-, quercetin-4'-glycoside, quercetin-4-O-glucoside, 2-(4-(beta-D-Glucopyranosyloxy)-3-hydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one, quercetin-4'-O-monoglucoside, SPIRAEOSIDE [WHO-DD], quercetin-4'-o-beta-glucoside, Spireoside (6CI,7CI,8CI), orb2663553, SCHEMBL1155660, Spiraeoside, analytical standard, SCHEMBL29399620, SCHEMBL29707303, CHEBI:75839, HMS6019C04, QUERCETIN 4'-MONOGLUCOSIDE, HY-N8253, BDBM50362884, AKOS025146959, quercetin-4'-o-beta-d-glucopyranoside, FS65174, LUTEOLIN 4'-.BETA.-D-GLUCOSIDE, NCGC00163625-01, NCGC00163625-02, 3,5,7-trihydroxy-2-(3-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one, MS-28545, CS-0141978, NS00026552, QUERCETIN 4'-.BETA.-D-GLUCOPYRANOSIDE, D85150, Q7577713, 2-Hydroxy-4-(3,5,7-trihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenyl beta-D-glucopyranoside, 2-hydroxy-4-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl beta-D-glucopyranoside, 4H-1-Benzopyran-4-one, 2-[4-(|A-D-glucopyranosyloxy)-3-hydroxyphenyl]-3,5,7-trihydroxy-, 3,5,7-trihydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]chromen-4-one
Theoretical properties:
molecular_formula: C21H20O12
molecular_weight: 464.4 g/mol
exact_mass: 464.09547607 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 8
hydrogen_bond_acceptor_count: 12
rotatable_bond_count: 4
heavy_atom_count: 33
topological_polar_surface_area: 207 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 240 - 241 °C
Descriptions:
pubchem: Quercetin 4'-O-beta-D-glucopyranoside is a quercetin O-glucoside that is quercetin with a beta-D-glucosyl residue attached at position 4'. It has a role as an antioxidant, an antineoplastic agent and a plant metabolite. It is a beta-D-glucoside, a member of flavonols, a tetrahydroxyflavone, a monosaccharide derivative and a quercetin O-glucoside. It is functionally related to a beta-D-glucose. It is a conjugate acid of a quercetin 4'-O-beta-D-glucopyranoside(1-).
chebi: A quercetin <em>O</em>-glucoside that is quercetin with a β-<small>D</small>-glucosyl residue attached at position 4'.
chembl: SPIRAEOSIDE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Spiraeoside is a chemical compound. It can be isolated from flowers of meadowsweet (Filipendula ulmaria) or from garden onion (Allium cepa).
Spiraeoside is the 4'-O-glucoside of quercetin.