ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID05071
Compound Name3-O-[beta-D-glucopyranosyl (1->3)-beta-D-galactopyranosyl(1->2)]-beta-D-glucuronopyranosyl-oleanolic acid-28-O-beta-D-glucopyranoside
Chemical ClassSaponin
Molecular Weight1133.286
logP-2.298
H-Bond Donor13.00
H-Bond Acceptor37
Caco-2 Permeability0.007
logSwat-3.474
Number of Primary Metabolites17
Polar Surface Area396.602
Rotatable Bonds26
logKhsa-2.096
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids1
loghERG-4.342
Blood Brain Barrier (logBB)-8.535
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT01557
TaxKB   -
Structure Download

 






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