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[(2R,3R)-2-[3,5-dihydroxy-6-oxo-4-(3,4,5-trihydroxybenzoyl)oxy-8-[(3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-1-yl]-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl] 3,4,5-trihydroxybenzoate

Formula:C43H32O20 Mutagenic:low Tumorigenic:none Reproductive Effective:none [(2R,3R)-2-[3,5-dihydroxy-6-oxo-4-(3,4,5-trihydroxybenzoyl)oxy-8-[(3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-1-yl]-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl] 3,4,5-trihydroxybenzoate is not a drug-like molecule.
MolName[(2R,3R)-2-[3,5-dihydroxy-6-oxo-4-(3,4,5-trihydroxybenzoyl)oxy-8-[(3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-1-yl]-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl] 3,4,5-trihydroxybenzoate
MolecularFormulaC43H32O20
SmilesO[C@H](C1)[C@@H](C(C(C2=C3O)=CC(C([C@@H](C4)O)Oc5c4c(O)cc(O)c5)=CC3=O)=CC(O)=C2OC(c(cc2O)cc(O)c2O)=O)Oc2c1c(O)cc(OC(c(cc1O)cc(O)c1O)=O)c2
InChIInChI=1S/C43H32O20/c44-17-7-23(45)21-12-30(52)39(61-33(21)8-17)14-1-19-20(11-32(54)41(35(19)38(57)29(51)2-14)63-43(59)16-5-27(49)37(56)28(50)6-16)40-31(53)13-22-24(46)9-18(10-34(22)62-40)60-42(58)15-3-25(47)36(55)26(48)4-15/h1-11,30-31,39-40,44-50,52-56H,
InChIKTUJOKWPTOVJHLY-JBJHRQGLSA-N
TotalMolweight868.707
Molweight868.707
MonoisotopicMass868.1487
CLogP2.654
CLogS-4.729
H Acceptors20
H Donors13
TotalSurfaceArea571.83
Relative PSA0.43618
PolarSurfaceArea351.12
Druglikeness1.7767
Mutageniclow
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.36508
Fragments1
Non HAtoms63
NonCHAtoms20
Electronegative Atoms20
StereoCenters4
Rotatable Bond8
Rings Closures8
Small Rings8
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms23
Symmetricatoms6
StereoConunknown chirality

Request More Details | [(2R,3R)-2-[3,5-dihydroxy-6-oxo-4-(3,4,5-trihydroxybenzoyl)oxy-8-[(3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-1-yl]-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl] 3,4,5-trihydroxybenzoate


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