ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02630
Compound Name1beta,2alpha-Dihydroxyspirosta-5,25(27)-dien-3beta-yl O-alpha-L-rhamnopyranosyl-(1->2)-O-(beta-D-glucopyranosyl-(1->4))-beta-D-galactopyranoside
Chemical ClassSteroids
Molecular Weight915.037
logP-1.270
H-Bond Donor11.00
H-Bond Acceptor30
Caco-2 Permeability2.920
logSwat-3.986
Number of Primary Metabolites15
Polar Surface Area282.416
Rotatable Bonds19
logKhsa-1.457
Number of Reactive Functional Groups4
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-6.039
Blood Brain Barrier (logBB)-5.115
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol1433
NPACT   -
TaxKB   -
Structure Download

 






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