Genistein 8-C-glucoside

PubChem CID: 5281757

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Compound Synonyms	Genistein 8-C-glucoside, 66026-80-0, 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one, CHEBI:5304, G8CG, C10420, CHEMBL1945734, SCHEMBL15241300, DTXSID10415186, HY-N6882, AKOS040740791, DA-73695, MS-27705, CS-0100476, G16155, Q27106711, (1S)-1,5-anhydro-1-[5,7-dihydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]-D-glucitol
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	177.0
Hydrogen Bond Donor Count	7.0
Pfizer 3 75 Rule	True
Scaffold Graph Level	CC1C(C2CCCCC2)CCC2C(C3CCCCC3)CCCC12
Np Classifier Class	Isoflavones
Deep Smiles	OC[C@H]O[C@H][C@@H][C@H][C@@H]6O))O))O))ccO)cccc6occc6=O))cccccc6))O))))))))))O
Heavy Atom Count	31.0
Classyfire Class	Isoflavonoids
Scaffold Graph Node Level	OC1C(C2CCCCC2)COC2C(C3CCCCO3)CCCC12
Classyfire Subclass	Isoflavonoid c-glycosides
Isotope Atom Count	0.0
Molecular Complexity	690.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	5.0
Uniprot Id	O42275
Iupac Name	5,7-dihydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Prediction Hob	0.0
Veber Rule	False
Classyfire Superclass	Phenylpropanoids and polyketides
Xlogp	0.2
Gsk 4 400 Rule	False
Molecular Formula	C21H20O10
Scaffold Graph Node Bond Level	O=c1c(-c2ccccc2)coc2c(C3CCCCO3)cccc12
Prediction Swissadme	0.0
Inchi Key	HIWJJOYYZFELEZ-FFYOZGDPSA-N
Silicos It Class	Soluble
Fcsp3	0.2857142857142857
Logs	-3.86
Rotatable Bond Count	3.0
Logd	0.474
Synonyms	8-glucopyranosyl-3,4,7,-trihydroxyisoflavone, genistein-8-c-glucoside
Esol Class	Soluble
Functional Groups	CO, COC, c=O, cO, coc
Compound Name	Genistein 8-C-glucoside
Prediction Hob Swissadme	0.0
Exact Mass	432.106
Formal Charge	0.0
Monoisotopic Mass	432.106
Hydrogen Bond Acceptor Count	10.0
Molecular Weight	432.4
Gi Absorption	False
Covalent Unit Count	1.0
Total Atom Stereocenter Count	5.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-2.3392976838709685
Inchi	InChI=1S/C21H20O10/c22-6-13-17(27)18(28)19(29)21(31-13)15-12(25)5-11(24)14-16(26)10(7-30-20(14)15)8-1-3-9(23)4-2-8/h1-5,7,13,17-19,21-25,27-29H,6H2/t13-,17-,18+,19-,21+/m1/s1
Smiles	C1=CC(=CC=C1C2=COC3=C(C2=O)C(=CC(=C3[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)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	Isoflavonoids

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81. Outgoing r'ship FOUND_IN to/from Artemisia Salsoloides (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Artemisia Schimperi (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Artemisia Schmidtiana (Plant) Rel Props:Reference:
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207. Outgoing r'ship FOUND_IN to/from Ipomoea Vitifolia (Plant) Rel Props:Reference:
208. Outgoing r'ship FOUND_IN to/from Iris Sibirica (Plant) Rel Props:Reference:
209. Outgoing r'ship FOUND_IN to/from Lupinus Luteus (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279
210. Outgoing r'ship FOUND_IN to/from Neolitsea Villosa (Plant) Rel Props:Reference:
211. Outgoing r'ship FOUND_IN to/from Neurolaena Lobata (Plant) Rel Props:Reference:
212. Outgoing r'ship FOUND_IN to/from Oxytropis Muricata (Plant) Rel Props:Reference:
213. Outgoing r'ship FOUND_IN to/from Patrinia Villosa (Plant) Rel Props:Reference:
214. Outgoing r'ship FOUND_IN to/from Persicaria Sibirica (Plant) Rel Props:Reference:
215. Outgoing r'ship FOUND_IN to/from Pinus Sibirica (Plant) Rel Props:Reference:
216. Outgoing r'ship FOUND_IN to/from Polygala Sibirica (Plant) Rel Props:Reference:
217. Outgoing r'ship FOUND_IN to/from Prunus Sibirica (Plant) Rel Props:Reference:
218. Outgoing r'ship FOUND_IN to/from Pueraria Lobata (Plant) Rel Props:Source_db:npass_chem_all
219. Outgoing r'ship FOUND_IN to/from Pueraria Montana (Plant) Rel Props:Source_db:cmaup_ingredients
220. Outgoing r'ship FOUND_IN to/from Pueraria Phaseoloides (Plant) Rel Props:Reference:
221. Outgoing r'ship FOUND_IN to/from Pueraria Thomsonii (Plant) Rel Props:Reference:
222. Outgoing r'ship FOUND_IN to/from Pueraria Tuberosa (Plant) Rel Props:Reference:
223. Outgoing r'ship FOUND_IN to/from Quisqualis Indica (Plant) Rel Props:Reference:
224. Outgoing r'ship FOUND_IN to/from Sterculia Villosa (Plant) Rel Props:Reference:
225. Outgoing r'ship FOUND_IN to/from Tephrosia Villosa (Plant) Rel Props:Reference:
226. Outgoing r'ship FOUND_IN to/from Trichosanthes Lobata (Plant) Rel Props:Reference:
227. Outgoing r'ship FOUND_IN to/from Urena Lobata (Plant) Rel Props:Reference:
228. Outgoing r'ship FOUND_IN to/from Vicia Villosa (Plant) Rel Props:Reference:

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Grayu

Genistein 8-C-glucoside

Graph

Phytochemical Properties

Associated Connections 228

Plant Connections 228