Glycoside
GD138746
Name:
N-{1-[4,5-dihydroxy-3-(hydroxymethyl)oxolan-2-yl]-2-oxo-1,2-dihydropyrimidin-4-yl}-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamideFormula:
C26H24O8N4Smiles:
O=C(N=c1ccn(C2OC(O)C(O)C2CO)c(O)n1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=OAglycone:
O=C(N=C1C=C[N]C(O)=N1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=OSugarmoiety:
OCC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.27 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 6 |
| MolWt: | 520.5 | Num_heavy_atoms: | 38 |
| TPSA: | 174.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD55975
Formula: C21H15O4N4
Smiles:
O=C(N=C1C=C[N]C(O)=N1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O| HBA: | 8 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 387.38 | Num_heavy_atoms: | 29 |
| TPSA: | 113.5 | NumAromaticRings: | 2 |
