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Raspberryketone glucoside

PubChem CID: 5320521

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Compound Synonyms Raspberry ketone glucoside, 38963-94-9, Raspberryketone glucoside, Oristar RKG, Raspberryketone glucoside TH, 2-Butanone, 4-[4-(b-D-glucopyranosyloxy)phenyl]-, UNII-W3LCK69N6O, W3LCK69N6O, (4-Hydroxyphenyl)-2-butanone beta-d-glucoside, Raspberry ketone beta-d-glucoside, Raspberryketone glucoside [INCI], 4-(4-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)butan-2-one, Raspberry ketone beta-d-glucopyranoside, 4-(4'-Hydroxylphenyl)-2-butanone 4'-O-glucopyranoside, 4-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butan-2-one, DTXSID80192255, 4-(P-hydroxyphenyl)-2-butanone beta-D-glucoside, 4-(4-Hydroxyphenyl)-2-butanone beta-D-glucoside, 4-[4-(beta-d-glucopyranosyloxy)phenyl]-2-butanone, 2-Butanone, 4-(4-(beta-d-glucopyranosyloxy)phenyl)-, RASPBERRY KETONE GLUCOSIDE [MI], RASPBERRY KETONE .BETA.-D-GLUCOSIDE, RASPBERRY KETONE .BETA.-D-GLUCOPYRANOSIDE, (4-HYDROXYPHENYL)-2-BUTANONE .BETA.-D-GLUCOSIDE, 4-(4-HYDROXYPHENYL)-2-BUTANONE .BETA.-D-GLUCOSIDE, 4-(P-HYDROXYPHENYL)-2-BUTANONE .BETA.-D-GLUCOSIDE, 2-BUTANONE, 4-(4-(.BETA.-D-GLUCOPYRANOSYLOXY)PHENYL)-, 4-(4-(I2-D-Glucopyranosyloxy)phenyl)-2-butanone, 4-[4-(I2-D-Glucopyranosyloxy)phenyl]-2-butanone, 4-(4-(beta-D-Glucopyranosyloxy)phenyl)-2-butanone, 4-(4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)butan-2-one, MFCD09838679, MEGxp0_000222, SCHEMBL8976171, CHEMBL4211137, Raspberry ketone I2-D-glucoside, DTXCID90114746, IDONYWHRKBUDOR-IBEHDNSVSA-N, HY-N6069, MSK40380, Rheosmin-4-O-beta-D-glucopyranoside, s3222, Raspberry ketone I2-D-glucopyranoside, AKOS022174882, MR15464, AS-15354, DA-77355, CS-0032306, (4-Hydroxyphenyl)-2-butanone I2-D-glucoside, G13597, Q21547195, (4-Hydroxyphenyl)-2-butanone ?-D-glucoside, 4-[4-(?-D-Glucopyranosyloxy)phenyl]-2-butanone, 4-(4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)phenyl)butan-2-one, 4-(4-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}PHENYL)BUTAN-2-ONE, Raspberryketone glucosideOristar RKG, Raspberryketone glucoside TH, Raspberryketone glucoside [INCI]
Topological Polar Surface Area 116.0
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 23.0
Isotope Atom Count 0.0
Molecular Complexity 381.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 5.0
Uniprot Id P03372
Iupac Name 4-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butan-2-one
Prediction Hob 1.0
Xlogp 0.0
Molecular Formula C16H22O7
Prediction Swissadme 1.0
Inchi Key IDONYWHRKBUDOR-IBEHDNSVSA-N
Fcsp3 0.5625
Logs -1.461
Rotatable Bond Count 6.0
Logd -0.615
Compound Name Raspberryketone glucoside
Prediction Hob Swissadme 1.0
Exact Mass 326.137
Formal Charge 0.0
Monoisotopic Mass 326.137
Hydrogen Bond Acceptor Count 7.0
Molecular Weight 326.34
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Esol -1.2760824782608695
Inchi InChI=1S/C16H22O7/c1-9(18)2-3-10-4-6-11(7-5-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h4-7,12-17,19-21H,2-3,8H2,1H3/t12-,13-,14+,15-,16-/m1/s1
Smiles CC(=O)CCC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Nring 2.0
Defined Bond Stereocenter Count 0.0