ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03965
Compound Name(22R, 23S, 25S) -3beta, 6alpha, 23-trihydroxy-5alpha-spirostane 6-O-beta-d- xylopyranosyl-(1?->?3)-O-beta-d-quinovopyranoside
Chemical ClassUnknown
Molecular Weight726.900
logP1.228
H-Bond Donor7.00
H-Bond Acceptor20
Caco-2 Permeability18.540
logSwat-6.019
Number of Primary Metabolites7
Polar Surface Area188.230
Rotatable Bonds11
logKhsa-0.285
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.546
Blood Brain Barrier (logBB)-3.491
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations3
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol3683
NPACT   -
TaxKB   -
Structure Download

 






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