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

Formula:C21H20O10 Mutagenic:none Tumorigenic:none Reproductive Effective:high 5,7-dihydroxy-3-[4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one is not a drug-like molecule.

MolName	5,7-dihydroxy-3-[4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
MolecularFormula	C21H20O10
Smiles	OC[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O[C@@H]1Oc(cc1)ccc1C1=COc(cc(cc2O)O)c2C1=O
InChI	InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-3-1-9(2-4-11)12-8-29-14-6-10(23)5-13(24)16(14)17(12)25/h1-6,8,15,18-24,26-28H,7H2/t15-,18+,19-,20-,21-/m0/s1
InChIK	ISQRJFLLIDGZEP-YSCIFQABSA-N
TotalMolweight	432.38
Molweight	432.38
MonoisotopicMass	432.10565
CLogP	-0.3621
CLogS	-2.613
H Acceptors	10
H Donors	6
TotalSurfaceArea	292.84
Relative PSA	0.41538
PolarSurfaceArea	166.14
Druglikeness	-3.6206
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	15
Symmetricatoms	2
StereoCon	this enantiomer

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

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