ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID05072
Compound Name3 beta-o-(beta-D-glucopyranosyl-(1->3)-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranosyl)-hederagrnin-28-O-(beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl)ester
Chemical ClassSaponin
Molecular Weight1237.391
logP-4.681
H-Bond Donor16.00
H-Bond Acceptor45
Caco-2 Permeability0.040
logSwat-2.839
Number of Primary Metabolites18
Polar Surface Area429.532
Rotatable Bonds30
logKhsa-3.102
Number of Reactive Functional Groups5
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-6.848
Blood Brain Barrier (logBB)-9.566
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT01558
TaxKB   -
Structure Download

 






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