ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID05064
Compound Name3 beta-O-(alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranosyl)-lup-20(29)-ene-28-O-beta-D-glucopyranosyl ester
Chemical ClassSaponin
Molecular Weight897.108
logP0.850
H-Bond Donor9.00
H-Bond Acceptor26
Caco-2 Permeability5.624
logSwat-5.463
Number of Primary Metabolites11
Polar Surface Area250.930
Rotatable Bonds17
logKhsa-0.612
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.771
Blood Brain Barrier (logBB)-4.582
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT01547
TaxKB   -
Structure Download

 






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