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3,4,12,14,17,18,22,26,28-nonahydroxy-9,30-dioxaheptacyclo[20.6.2.28,11.02,7.010,15.016,21.025,29]dotriaconta-1(29),2(7),3,5,8(32),10,12,14,16(21),17,19,25,27-tridecaene-24,31-dione

Formula:C30H18O13 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3,4,12,14,17,18,22,26,28-nonahydroxy-9,30-dioxaheptacyclo[20.6.2.28,11.02,7.010,15.016,21.025,29]dotriaconta-1(29),2(7),3,5,8(32),10,12,14,16(21),17,19,25,27-tridecaene-24,31-dione is not a drug-like molecule.
MolName3,4,12,14,17,18,22,26,28-nonahydroxy-9,30-dioxaheptacyclo[20.6.2.28,11.02,7.010,15.016,21.025,29]dotriaconta-1(29),2(7),3,5,8(32),10,12,14,16(21),17,19,25,27-tridecaene-24,31-dione
MolecularFormulaC30H18O13
SmilesOC(CC(c1c(cc2O)O)=O)(c(c(-c(c(O3)c4c(O)c5)c5O)c5O)ccc5O)Oc1c2-c(c(O)c(cc1)O)c1C3=CC4=O
InChIInChI=1S/C30H18O13/c31-11-3-1-9-19-7-17(37)22-13(33)5-16(36)25(28(22)42-19)21-10(2-4-12(32)27(21)40)30(41)8-18(38)23-14(34)6-15(35)24(29(23)43-30)20(9)26(11)39/h1-7,31-36,39-41H,8H2
InChIKXQTQGEORWSFOOC-UHFFFAOYSA-N
TotalMolweight586.46
Molweight586.46
MonoisotopicMass586.074745
CLogP3.4662
CLogS-5.594
H Acceptors13
H Donors9
TotalSurfaceArea373.57
Relative PSA0.43895
PolarSurfaceArea234.67
Druglikeness1.6009
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.30233
Fragments1
Non HAtoms43
NonCHAtoms13
Electronegative Atoms13
StereoCenters1
Rings Closures7
Small Rings6
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms13
StereoConunknown chirality

Request More Details | 3,4,12,14,17,18,22,26,28-nonahydroxy-9,30-dioxaheptacyclo[20.6.2.28,11.02,7.010,15.016,21.025,29]dotriaconta-1(29),2(7),3,5,8(32),10,12,14,16(21),17,19,25,27-tridecaene-24,31-dione


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