ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID05075
Compound Name3 beta-O-(alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranosyl)-hederagenin-28-O-(beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl)ester
Chemical ClassSaponin
Molecular Weight1073.277
logP-1.273
H-Bond Donor12.00
H-Bond Acceptor34
Caco-2 Permeability0.582
logSwat-4.507
Number of Primary Metabolites14
Polar Surface Area324.637
Rotatable Bonds23
logKhsa-1.573
Number of Reactive Functional Groups4
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-6.243
Blood Brain Barrier (logBB)-6.683
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT01562
TaxKB   -
Structure Download

 






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