ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04065
Compound Name3-O-[alpha-L-Arabinopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->6)-2-acetamido-2-deoxy-beta-D-glucopyranosyl]oleanolic acid
Chemical ClassSaponin
Molecular Weight926.149
logP0.852
H-Bond Donor9.00
H-Bond Acceptor27
Caco-2 Permeability1.260
logSwat-4.033
Number of Primary Metabolites7
Polar Surface Area268.577
Rotatable Bonds16
logKhsa-1.019
Number of Reactive Functional Groups3
Number of Amides1
Number of Amines0
Number of Acids1
loghERG-2.134
Blood Brain Barrier (logBB)-4.046
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT00134
TaxKB   -
Structure Download

 






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