Glycoside
GD137883
Name:
2,5-Diamino-4-Hydroxy-6-(5-Phosphonatoribosylamino)Pyrimidine(3-)Formula:
C9H16O8N5PSmiles:
N=c1nc(O)c(N)c(NC2OC(COP(=O)(O)O)C(O)C2O)[nH]1Aglycone:
COP(=O)(O)O.N=c1nc(O)c(N)c(N)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.56 |
| AlogP: | -2.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 353.23 | Num_heavy_atoms: | 23 |
| TPSA: | 227.26 | NumAromaticRings: | 1 |
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 |
AD47642
Formula: C4H7ON5
Smiles:
N=c1nc(O)c(N)c(N)[nH]1| HBA: | 6 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.0 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 0 |
| MolWt: | 141.13 | Num_heavy_atoms: | 10 |
| TPSA: | 124.8 | NumAromaticRings: | 1 |
