Glycoside
GD119847
Name:
2-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-{[(4,5-dihydroxycyclopent-2-en-1-yl)amino]methyl}-4H,4aH,7H-pyrrolo[2,3-d]pyrimidin-4-oneFormula:
C17H23O7N5Smiles:
N=C1N=C(O)C2C(CNC3C=CC(O)C3O)=CN(C3OC(CO)C(O)C3O)C2=N1Aglycone:
N=C1N=C(O)C2C(CNC3C=CC(O)C3O)=CNC2=N1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.59 |
| AlogP: | -3.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 409.4 | Num_heavy_atoms: | 29 |
| TPSA: | 194.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD48077
Formula: C12H15O3N5
Smiles:
N=C1N=C(O)C2C(CNC3C=CC(O)C3O)=CNC2=N1| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 3 |
| MolWt: | 277.28 | Num_heavy_atoms: | 20 |
| TPSA: | 133.32 | NumAromaticRings: | 0 |
