CC1=C(C(=NN1)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)CC3=CC=C(C=C3)OC(C)C
이름: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[5-methyl-4-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrazol-3-yl]oxy]oxan-2-yl]methyl acetate
SMILES: CC1=C(C(=NN1)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)CC3=CC=C(C=C3)OC(C)C

Molecular Processing

Molecular formula
C28H36N2O11
Molecular weight
576.6
Exact mass
576.2319
XLogP
2.56
TPSA
161.57
H-bond donors
1
H-bond acceptors
12
Rotatable bonds
11
Heavy atoms
41
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.536
Molar refractivity
140.92

Supplementary Information

InChIKey: OYZZVRUJWGXBFF-CBNWRBMVSA-N
동의어
SCHEMBL2251903OYZZVRUJWGXBFF-CBNWRBMVSA-N4-[(4-isopropoxy-phenyl)methyl]-5-methyl-3-(2,3,4,6-tetra-o-acetyl-beta-d-glucopyranosyloxy)-1h-pyrazole4-[(4-isopropoxyphenyl)methyl]-5-methyl-3-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyloxy)-1H-pyrazole
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