ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02662
Compound NameTigogenin 3-O-beta-D-glucopyranosyl-(1->2)-(beta-D-xylopyranosyl-(1->3))-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside
Chemical ClassSteroids
Molecular Weight1035.185
logP-2.242
H-Bond Donor12.00
H-Bond Acceptor36
Caco-2 Permeability2.216
logSwat-2.973
Number of Primary Metabolites12
Polar Surface Area318.393
Rotatable Bonds23
logKhsa-2.013
Number of Reactive Functional Groups5
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.830
Blood Brain Barrier (logBB)-5.581
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol1468
NPACT   -
TaxKB   -
Structure Download

 






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