ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04026
Compound Name23-Hydroxy-3-beta-[(O-alpha-L-rhamnopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-alpha-L-arabinopyranosyl)oxy]lup-20(29)-en-oic acid 28-O-alpha-L-rhamnopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl ester
Chemical ClassSaponin
Molecular Weight1369.507
logP-6.467
H-Bond Donor18.00
H-Bond Acceptor51
Caco-2 Permeability0.015
logSwat-0.837
Number of Primary Metabolites20
Polar Surface Area471.717
Rotatable Bonds34
logKhsa-3.885
Number of Reactive Functional Groups7
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-6.737
Blood Brain Barrier (logBB)-10.207
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT00079
TaxKB   -
Structure Download

 






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