ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02302
Compound Name3beta-O-(beta-D-Glucopyranosyl-(1->3)-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranosyl)-hederagenin-28-O-beta-D-glucopyranosyl ester
Chemical ClassSaponin
Molecular Weight1075.249
logP-2.785
H-Bond Donor13.00
H-Bond Acceptor36
Caco-2 Permeability0.198
logSwat-2.759
Number of Primary Metabolites15
Polar Surface Area347.228
Rotatable Bonds24
logKhsa-1.928
Number of Reactive Functional Groups4
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.721
Blood Brain Barrier (logBB)-6.836
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol1009
NPACT   -
TaxKB   -
Structure Download

 






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