2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

Formula:C21H20O11 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one is not a drug-like molecule.

MolName	2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
MolecularFormula	C21H20O11
Smiles	OCC(C(C(C1O)O)O)OC1c(c(OC(c(cc1)cc(O)c1O)=C1O)c(cc2)C1=O)c2O
InChI	InChI=1S/C21H20O11/c22-6-12-15(27)16(28)18(30)21(31-12)13-10(24)4-2-8-14(26)17(29)19(32-20(8)13)7-1-3-9(23)11(25)5-7/h1-5,12,15-16,18,21-25,27-30H,6H2
InChIK	GVDZEEZFEKPWPL-UHFFFAOYSA-N
TotalMolweight	448.379
Molweight	448.379
MonoisotopicMass	448.100565
CLogP	-0.5778
CLogS	-2.2
H Acceptors	11
H Donors	8
TotalSurfaceArea	293.75
Relative PSA	0.46924
PolarSurfaceArea	197.37
Druglikeness	-2.485
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.4375
Fragments	1
Non HAtoms	32
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	5
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	16
StereoCon	unknown chirality

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1 - 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one | 2 - 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

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