ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04076
Compound Name3-O-alpha-L-Rhamnopyranosyl-(1->2)-alpha-L-arabinopyranosyl hederagenin 28-O-alpha-L-rhamnopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl ester
Chemical ClassSaponin
Molecular Weight1207.365
logP-3.987
H-Bond Donor15.00
H-Bond Acceptor43
Caco-2 Permeability0.130
logSwat-2.536
Number of Primary Metabolites17
Polar Surface Area396.299
Rotatable Bonds27
logKhsa-2.692
Number of Reactive Functional Groups6
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-6.322
Blood Brain Barrier (logBB)-7.920
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT00145
TaxKB   -
Structure Download

 






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