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Luteolin-4'-o-glucoside

PubChem CID: 5319116

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Compound Synonyms luteolin-4'-o-glucoside, Luteolin 4'-O-glucoside, 6920-38-3, CHEBI:68986, luteolin-4'-o-beta-d-glucopyranoside, 5,7-dihydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one, Luteolin-4'Glucoside, Luteolin 4a(2)-O-glucoside, SCHEMBL293542, CHEMBL459822, HY-N8309R, UHNXUSWGOJMEFO-QNDFHXLGSA-N, DTXSID201313674, Luteolin-4'-O-glucoside (Standard), AKOS040760535, MS-28112, 5,7,3'-trihydroxyflavone 4'-O-beta-D-glucopyranoside, Q27137333, 3',4',5,7-Tetrahydroxyflavone 4'-.beta.-D-glucoside, 3',5,7-Trihydroxy-4'-O-ss-D-glucopyranosyloxyflavone, 4-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl beta-D-glucopyranoside, 4H-1-Benzopyran-4-one, 2-[4-(.beta.-D-glucopyranosyloxy)-3-hydroxyphenyl]-5,7-dihydroxy-, 5,7-dihydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]chromen-4-one
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 186.0
Hydrogen Bond Donor Count 7.0
Pfizer 3 75 Rule True
Scaffold Graph Level CC1CC(C2CCC(CC3CCCCC3)CC2)CC2CCCCC12
Np Classifier Class Flavones
Deep Smiles OC[C@H]O[C@@H]Occcccc6O)))ccc=O)cco6)cccc6O)))O)))))))))))))[C@@H][C@H][C@@H]6O))O))O
Heavy Atom Count 32.0
Classyfire Class Flavonoids
Scaffold Graph Node Level OC1CC(C2CCC(OC3CCCCO3)CC2)OC2CCCCC12
Classyfire Subclass Flavonoid glycosides
Isotope Atom Count 0.0
Molecular Complexity 714.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 5.0
Uniprot Id n.a., O42713, P00747
Iupac Name 5,7-dihydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
Prediction Hob 0.0
Veber Rule False
Classyfire Superclass Phenylpropanoids and polyketides
Xlogp 0.5
Gsk 4 400 Rule False
Molecular Formula C21H20O11
Scaffold Graph Node Bond Level O=c1cc(-c2ccc(OC3CCCCO3)cc2)oc2ccccc12
Prediction Swissadme 0.0
Inchi Key UHNXUSWGOJMEFO-QNDFHXLGSA-N
Silicos It Class Soluble
Fcsp3 0.2857142857142857
Logs -3.949
Rotatable Bond Count 4.0
Logd 0.132
Synonyms luteolin-4'-glucoside, luteolin-4'-o-glucoside
Esol Class Soluble
Functional Groups CO, c=O, cO, cO[C@@H](C)OC, coc
Compound Name Luteolin-4'-o-glucoside
Prediction Hob Swissadme 0.0
Exact Mass 448.101
Formal Charge 0.0
Monoisotopic Mass 448.101
Hydrogen Bond Acceptor Count 11.0
Molecular Weight 448.4
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 False
Esol -2.549556000000001
Inchi InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1
Smiles C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Nring 4.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 0.0
Egan Rule False
Np Classifier Superclass Flavonoids