ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02281
Compound Name3beta-D-O-(alpha-L-Rhamnopyranosyl-(1->2)-alpha-L-arabinopyranosyl)-lup-20(29)-ene-28-O-beta-D-glucopyranosyl ester
Chemical ClassTerpenoids
Molecular Weight897.108
logP0.451
H-Bond Donor9.00
H-Bond Acceptor26
Caco-2 Permeability3.955
logSwat-4.836
Number of Primary Metabolites11
Polar Surface Area250.894
Rotatable Bonds17
logKhsa-0.680
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.513
Blood Brain Barrier (logBB)-4.581
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol0984
NPACT   -
TaxKB   -
Structure Download

 






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