ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02606
Compound Name3beta,-17alpha-Dihydroxy-16beta-((O-beta-D-gluco-pyranosyl-(1->4)-O-(2-O-3,4-dimethoxybenzoyl-beta-D-xylopyranosyl)-(1->3)-2-O-acetyl-alpha-L-arabinopyranosyl)oxy)cholest-5-en-22-one
Chemical ClassUnknown
Molecular Weight1065.213
logP1.727
H-Bond Donor7.00
H-Bond Acceptor29
Caco-2 Permeability6.079
logSwat-4.313
Number of Primary Metabolites14
Polar Surface Area301.011
Rotatable Bonds25
logKhsa-0.768
Number of Reactive Functional Groups6
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.816
Blood Brain Barrier (logBB)-4.921
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol1409
NPACT   -
TaxKB   -
Structure Download

 






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