OSADHI - Online Structural and Analytics based Database for Herbs of India

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Chemoinformaics analysis of GINSENOSIDE-RF


Physiochemical Properties
Molecular Weight 801.024 nRot 10
Heavy Atom Molecular Weight 728.448 nRig 33
Exact Molecular Weight 800.492 nRing 6
Solubility: LogS -3.225 nHRing 2
Solubility: LogP 2.293 No. of Aliphatic Rings 6
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 4
Atoms Count 128 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 56 No. of Aromatic Carbocycles 0
nHetero 14 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 4
No. of Hydrogen atom 72 No. of Saturated Hetero Cycles 2
No. of Carbon atom 42 No. of Saturated Rings 6
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 14 No. of Arom Bond 0
nHA 14 APOL 129.377
nHD 10 BPOL 79.1749
Medicinal Chemistry Properties
QED 0.11
Synth 6.008
Natural Product Likeliness 2.781
NR-PPAR-gamma 0.079
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.988
Pgp-sub 0.032
HIA 0.992
CACO-2 -5.441
Distribution
MDCK 0.000138673
BBB 0.105
PPB 0.726833
VDSS 0.358
Metabolism
FU 0.0933191
CYP1A2-inh 0
CYP1A2-sub 0.067
CYP2c19-inh 0
CYP2c19-sub 0.341
CYP2c9-inh 0
CYP2c9-sub 0.095
CYP2d6-inh 0
CYP2d6-sub 0.084
CYP3a4-inh 0.009
CYP3a4-sub 0.033
Excretion
CL 0.737
T12 0.049
Toxicity
hERG 0.032
Ames 0.069
ROA 0.416
SkinSen 0.009
Carcinogencity 0.006
EI 0.002
Respiratory 0.134
NR-Aromatase 0.743
Antiviral Prediction
Antiviral Yes
Prediction 0.842757
OSADHI

A database of all the medicinal plants having PAN India presence.
Hosted at CSIR-North East Institute of Science and Technology, Jorhat

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