ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03960
Compound Name3-O-b-D-glucopyranosyl(1->4)-b-D-glucopyranosyl(1->3)-a-L-rhamnopyranosyl(1->2)[b-D-glucopyranosyl(1->4)]-a-L-arabinopyranosyl oleanolic acid
Chemical ClassUnknown
Molecular Weight1219.419
logP-2.642
H-Bond Donor15.00
H-Bond Acceptor41
Caco-2 Permeability0.026
logSwat-3.077
Number of Primary Metabolites17
Polar Surface Area392.345
Rotatable Bonds28
logKhsa-2.553
Number of Reactive Functional Groups4
Number of Amides0
Number of Amines0
Number of Acids1
loghERG-4.566
Blood Brain Barrier (logBB)-8.173
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol3678
NPACT   -
TaxKB   -
Structure Download

 






Copyright © 2018. Subhash M. Agarwal. All Rights Reserved.