ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04580
Compound NameOleanolic acid 3-O-{O-beta-D-glucopyranosyl-(1->3)-O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranoside}
Chemical ClassSaponin
Molecular Weight897.108
logP0.922
H-Bond Donor9.00
H-Bond Acceptor26
Caco-2 Permeability1.169
logSwat-4.462
Number of Primary Metabolites10
Polar Surface Area248.791
Rotatable Bonds16
logKhsa-0.772
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids1
loghERG-3.269
Blood Brain Barrier (logBB)-4.212
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT00834
TaxKB   -
Structure Download

 






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