ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02626
Compound Name3-O-(Bis-alpha-L-rhamnopyranosyl-(1->2 & 1->4)-beta-D-glucopyranosyl)-22R,25R-spirost-5-ene-3beta,20alpha-diol
Chemical ClassSteroids
Molecular Weight885.054
logP1.880
H-Bond Donor9.00
H-Bond Acceptor22
Caco-2 Permeability5.559
logSwat-6.399
Number of Primary Metabolites11
Polar Surface Area238.444
Rotatable Bonds16
logKhsa-0.116
Number of Reactive Functional Groups4
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.752
Blood Brain Barrier (logBB)-4.545
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations3
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol1429
NPACT   -
TaxKB   -
Structure Download

 






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