Glycoside
GD119024
Name:
2,5-Diamino-6-Ribosylamino-4(3H)Pyrimidinone 5'-TriphosphateFormula:
C9H18O14N5P3Smiles:
N=c1nc(O)c(N)c(NC2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.N=c1nc(O)c(N)c(N)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 2 |
| HBD: | 12 | FractionCSP3: | 0.56 |
| AlogP: | -2.62 | Num_rotatable_bonds: | 9 |
| MolWt: | 513.19 | Num_heavy_atoms: | 31 |
| TPSA: | 320.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | 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 |
