ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID05051
Compound Name(22R,23R,24R)-12beta-acetyloxy-16beta,23:22,25-diepoxy-23,24-dihydroxy-9,19-cyclolanostan-3beta-yl alpha-L-arabinopyranoside
Chemical ClassCarbohydrates
Molecular Weight676.843
logP3.301
H-Bond Donor5.00
H-Bond Acceptor14
Caco-2 Permeability75.643
logSwat-6.814
Number of Primary Metabolites6
Polar Surface Area162.161
Rotatable Bonds8
logKhsa0.549
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.102
Blood Brain Barrier (logBB)-2.339
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT01527
TaxKB   -
Structure Download

 






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