ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03963
Compound Name(22R, 23R, 25S)-3beta, 6alpha, 23-trihydroxy-5alpha-spirostane 6-O-beta-d- xylopyranosyl-(1?->?3)-O-beta-d-quinovopyranoside
Chemical ClassUnknown
Molecular Weight726.900
logP1.358
H-Bond Donor7.00
H-Bond Acceptor20
Caco-2 Permeability37.654
logSwat-5.749
Number of Primary Metabolites7
Polar Surface Area188.004
Rotatable Bonds11
logKhsa-0.305
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.402
Blood Brain Barrier (logBB)-3.039
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol3681
NPACT   -
TaxKB   -
Structure Download

 






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