ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04450
Compound NameHederagenin 3-O-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->3)-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranoside
Chemical ClassSaponin
Molecular Weight1059.207
logP-1.586
H-Bond Donor13.00
H-Bond Acceptor35
Caco-2 Permeability0.592
logSwat-2.035
Number of Primary Metabolites16
Polar Surface Area335.589
Rotatable Bonds24
logKhsa-1.984
Number of Reactive Functional Groups4
Number of Amides0
Number of Amines0
Number of Acids1
loghERG-3.454
Blood Brain Barrier (logBB)-5.107
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT00657
TaxKB   -
Structure Download

 






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