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

Formula:C27H30O16 Mutagenic:high Tumorigenic:none Reproductive Effective:none 8-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one is not a drug-like molecule.
MolName8-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
MolecularFormulaC27H30O16
SmilesOCC(C(C(C1O)O)O)OC1OC(C1O)C(Oc(c(OC(c(cc2)ccc2O)=C2)c(c(O)c3)C2=O)c3O)OC(CO)C1O
InChIInChI=1S/C27H30O16/c28-7-15-18(34)20(36)22(38)26(40-15)43-25-21(37)19(35)16(8-29)41-27(25)42-23-13(33)5-11(31)17-12(32)6-14(39-24(17)23)9-1-3-10(30)4-2-9/h1-6,15-16,18-22,25-31,33-38H,7-8H2
InChIKFHPGRJSWCJSVEN-UHFFFAOYSA-N
TotalMolweight610.519
Molweight610.519
MonoisotopicMass610.15339
CLogP-1.8364
CLogS-2.146
H Acceptors16
H Donors10
TotalSurfaceArea401
Relative PSA0.48389
PolarSurfaceArea265.52
Druglikeness-4.3935
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.4186
Fragments1
Non HAtoms43
NonCHAtoms16
Electronegative Atoms16
StereoCenters10
Rotatable Bond7
Rings Closures5
Small Rings5
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms27
Symmetricatoms2
StereoConunknown chirality

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