Eriodictyol-7-O-glucoside

PubChem CID: 13254473

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Compound Synonyms	Eriodictyol-7-O-glucoside, 38965-51-4, Pyracanthoside, Eriodictyol 7-O-glucoside, Eriodictyol-7-glucoside, CHEMBL509624, eriodictyol 7-O-beta-D-glucopyranoside, (2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one, MFCD18632528, SCHEMBL292299, MEGxp0_000055, ACon1_001141, GTPL12667, CHEBI:139458, EX-A6776, HY-N3847, BDBM50615183, AKOS040760386, example 15 [WO2015079413], NCGC00169637-01, MS-28166, CS-0024325, NS00057200, (2S)-5,3',4'-Trihydroxyflavanone-7-O-glucoside, BRD-K74027182-001-01-7, Q63399167, Eriodictyol 7-O-beta-D-glucopyranoside, >=99.0% (HPLC), (2S)-Eriodictyol-7-O-ss-D-glucopyranoside, 3',4',5,7-Tetrahydroxyflavanone 7-ss-D-glucopyranoside, Miscanthoside, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(.beta.-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-, (2S)-
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(C2CCCCC2)CC2CC(CC3CCCCC3)CCC12
Np Classifier Class	Flavanones
Deep Smiles	OC[C@H]O[C@@H]OcccO[C@@H]CC=O)c6cc%10)O)))))cccccc6)O))O)))))))))))[C@@H][C@H][C@@H]6O))O))O
Heavy Atom Count	32.0
Classyfire Class	Flavonoids
Scaffold Graph Node Level	OC1CC(C2CCCCC2)OC2CC(OC3CCCCO3)CCC12
Classyfire Subclass	Flavonoid glycosides
Isotope Atom Count	0.0
Molecular Complexity	662.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	6.0
Uniprot Id	n.a., O42275, P81908, O15056, O43426
Iupac Name	(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Prediction Hob	0.0
Veber Rule	False
Classyfire Superclass	Phenylpropanoids and polyketides
Xlogp	0.2
Gsk 4 400 Rule	False
Molecular Formula	C21H22O11
Scaffold Graph Node Bond Level	O=C1CC(c2ccccc2)Oc2cc(OC3CCCCO3)ccc21
Prediction Swissadme	0.0
Inchi Key	RAFHNDRXYHOLSH-SFTVRKLSSA-N
Silicos It Class	Soluble
Fcsp3	0.3809523809523809
Logs	-4.235
Rotatable Bond Count	4.0
Logd	0.078
Synonyms	eriodictyol 7-o-glucoside, eriodictyol-7-o-glucoside
Esol Class	Soluble
Functional Groups	CO, cC(C)=O, cO, cOC, cO[C@@H](C)OC
Compound Name	Eriodictyol-7-O-glucoside
Prediction Hob Swissadme	0.0
Exact Mass	450.116
Formal Charge	0.0
Monoisotopic Mass	450.116
Hydrogen Bond Acceptor Count	11.0
Molecular Weight	450.4
Gi Absorption	False
Covalent Unit Count	1.0
Total Atom Stereocenter Count	6.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	False
Esol	-2.8349552000000005
Inchi	InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2/t14-,16+,18+,19-,20+,21+/m0/s1
Smiles	C1[C@H](OC2=CC(=CC(=C2C1=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC(=C(C=C4)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

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Eriodictyol-7-O-glucoside

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Phytochemical Properties

Associated Connections 188

Plant Connections 188