ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04068
Compound Name3-O-[alpha-L-rhamnopyranosyl(1->2)-beta-D-glucopyranosyl(1->2)-beta-D-glucuronopyranosyl]olean-12-en-3-beta,22-beta,24-triol methyl ester
Chemical ClassTerpenoids
Molecular Weight798.963
logP1.452
H-Bond Donor8.00
H-Bond Acceptor20
Caco-2 Permeability0.496
logSwat-5.139
Number of Primary Metabolites11
Polar Surface Area243.588
Rotatable Bonds14
logKhsa-0.334
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids1
loghERG-3.242
Blood Brain Barrier (logBB)-4.469
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT00137
TaxKB   -
Structure Download

 






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