ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02682
Compound Name(25S)-26-O-beta-D-Glucopyranosyl-22-hy-droxy-5beta-furostane-3beta,26-diol 3-O-beta-D-gluco-pyranosyl-(1->2)-O-beta-D-galactopyranoside
Chemical ClassSaponin
Molecular Weight921.084
logP-1.690
H-Bond Donor12.00
H-Bond Acceptor30
Caco-2 Permeability0.681
logSwat-3.247
Number of Primary Metabolites11
Polar Surface Area303.510
Rotatable Bonds25
logKhsa-1.663
Number of Reactive Functional Groups4
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.807
Blood Brain Barrier (logBB)-6.349
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol1488
NPACT   -
TaxKB   -
Structure Download

 






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