ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04073
Compound Name3-O-[beta-D-xylonopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->6)-2-acetamido-2-deoxy-beta-D-glucopyranosyl]oleanolic acid
Chemical ClassSaponin
Molecular Weight926.149
logP0.547
H-Bond Donor9.00
H-Bond Acceptor27
Caco-2 Permeability0.892
logSwat-5.190
Number of Primary Metabolites7
Polar Surface Area270.323
Rotatable Bonds16
logKhsa-1.085
Number of Reactive Functional Groups3
Number of Amides1
Number of Amines0
Number of Acids1
loghERG-2.426
Blood Brain Barrier (logBB)-4.646
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT00142
TaxKB   -
Structure Download

 






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