CC1=C(C(=NN1)OC2C(C(C(C(O2)CO)O)O)O)CC3=CC=C(C=C3)C4CC4
Nom: (2S,3R,4S,5S,6R)-2-[[4-[(4-cyclopropylphenyl)methyl]-5-methyl-1H-pyrazol-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES: CC1=C(C(=NN1)OC2C(C(C(C(O2)CO)O)O)O)CC3=CC=C(C=C3)C4CC4

Molecular Processing

Molecular formula
C20H26N2O6
Molecular weight
390.44
Exact mass
390.1791
XLogP
0.37
TPSA
128.06
H-bond donors
5
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.55
Molar refractivity
98.94

Supplementary Information

InChIKey: NGIVBPMUZZVGRW-NUABRCLCSA-N
Synonymes
SCHEMBL4352902NGIVBPMUZZVGRW-NUABRCLCSA-N3- (beta-D-glucopyranosyloxy) -5-methyl-4-[(4-cyclopropylphenyl)methyl]-1H-pyrazole3- (beta-D-glucopyranosyloxy)-5-methyl-4-[(4-cyclo-propylphenyl)methyl]-1H-pyrazole3-(beta-D-glucopyranosyloxy)-5-methyl-4-[(4-cyclopropylphenyl)methyl]-1H-pyrazole
Voir la source →
Impliqué dans 6 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→