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

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

MolName	5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
MolecularFormula	C21H20O11
Smiles	OC[C@H]([C@H]([C@@H]([C@@H]1O)O)O)O[C@H]1OC1=C(c(cc2)ccc2O)Oc(cc(cc2O)O)c2C1=O
InChI	InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17-,18+,21+/m1/s1
InChIK	JPUKWEQWGBDDQB-SJWGPRHPSA-N
TotalMolweight	448.379
Molweight	448.379
MonoisotopicMass	448.100565
CLogP	-0.0011999
CLogS	-2.487
H Acceptors	11
H Donors	7
TotalSurfaceArea	297.4
Relative PSA	0.45306
PolarSurfaceArea	186.37
Druglikeness	-3.6679
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.40625
Fragments	1
Non HAtoms	32
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	16
Symmetricatoms	2
StereoCon	this enantiomer

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

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