Glycoside
GD119756
Name:
2-[(9-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}-6-oxo-6,9-dihydro-1H-purin-2-yl)amino]propanoic acidFormula:
C13H18O10N5PSmiles:
CC(N=c1nc(O)c2ncn(C3OC(COP(=O)(O)O)C(O)C3O)c2[nH]1)C(=O)OAglycone:
CC(N=c1nc(O)c2c([nH]1)[N]C=N2)C(=O)O.COP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -2.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 435.29 | Num_heavy_atoms: | 29 |
| TPSA: | 232.84 | NumAromaticRings: | 2 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD48037
Formula: C8H8O3N5
Smiles:
CC(N=c1nc(O)c2c([nH]1)[N]C=N2)C(=O)O| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 222.18 | Num_heavy_atoms: | 16 |
| TPSA: | 125.03 | NumAromaticRings: | 1 |
