3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Formula:C21H20O12 Mutagenic:high Tumorigenic:none Reproductive Effective:none 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one is not a drug-like molecule.

MolName	3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
MolecularFormula	C21H20O12
Smiles	OC[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O[C@@H]1Oc(c(OC(c(cc1)ccc1O)=C1O)c(c(O)c2)C1=O)c2O
InChI	InChI=1S/C21H20O12/c22-6-11-13(26)15(28)17(30)21(31-11)33-19-10(25)5-9(24)12-14(27)16(29)18(32-20(12)19)7-1-3-8(23)4-2-7/h1-5,11,13,15,17,21-26,28-30H,6H2/t11-,13+,15-,17-,21+/m0/s1
InChIK	WWEKCPWUOZWBRI-OWUVLBFBSA-N
TotalMolweight	464.378
Molweight	464.378
MonoisotopicMass	464.09548
CLogP	-0.4991
CLogS	-2.377
H Acceptors	12
H Donors	8
TotalSurfaceArea	303.75
Relative PSA	0.48672
PolarSurfaceArea	206.6
Druglikeness	-3.7091
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	12
Electronegative Atoms	12
StereoCenters	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	17
Symmetricatoms	2
StereoCon	this enantiomer

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1 - 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one | 2 - 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

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