Formononetin-7-O-Glucuronide

PubChem CID: 71316927

Connections displayed (default: 10).

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Compound Synonyms	Formononetin-7-O-Glucuronide, Formononetin 7-O-glucuronide, DTXSID60747823, CHEBI:190105, 3-(4-Methoxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranosiduronic acid, (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-((3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid, (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
Topological Polar Surface Area	152.0
Hydrogen Bond Donor Count	4.0
Heavy Atom Count	32.0
Isotope Atom Count	0.0
Molecular Complexity	730.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	5.0
Iupac Name	(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
Prediction Hob	1.0
Xlogp	1.2
Molecular Formula	C22H20O10
Prediction Swissadme	0.0
Inchi Key	UMBVLOHYPOQARY-SXFAUFNYSA-N
Fcsp3	0.2727272727272727
Logs	-4.352
Rotatable Bond Count	5.0
Logd	1.685
Compound Name	Formononetin-7-O-Glucuronide
Prediction Hob Swissadme	0.0
Exact Mass	444.106
Formal Charge	0.0
Monoisotopic Mass	444.106
Hydrogen Bond Acceptor Count	10.0
Molecular Weight	444.4
Covalent Unit Count	1.0
Total Atom Stereocenter Count	5.0
Total Bond Stereocenter Count	0.0
Esol	-3.466880800000001
Inchi	InChI=1S/C22H20O10/c1-29-11-4-2-10(3-5-11)14-9-30-15-8-12(6-7-13(15)16(14)23)31-22-19(26)17(24)18(25)20(32-22)21(27)28/h2-9,17-20,22,24-26H,1H3,(H,27,28)/t17-,18-,19+,20-,22+/m0/s1
Smiles	COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
Nring	4.0
Defined Bond Stereocenter Count	0.0

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54. Outgoing r'ship FOUND_IN to/from Astragalus Zahlbruckneri (Plant) Rel Props:Reference:

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Formononetin-7-O-Glucuronide

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Phytochemical Properties

Associated Connections 54

Plant Connections 54