Glycoside
GD038344
Name:
2',5'-gpapFormula:
C20H26O14N10P2Smiles:
Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3OP(=O)(O)OC[C@H]3O[C@H](n4cnc5c(N)ncnc54)[C@@H](O)[C@H]3OP(=O)(O)O)c2[nH]1Aglycone:
COP(=O)(O)O.Nc1nc(=O)c2c([nH]1)[N]C=N2.Nc1ncnc2c1N=C[N]2.O=P(O)(O)OSugarmoiety:
OCC1OC(O)C(O)C1O.OCC1OC(O)OC1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.5 |
| AlogP: | -3.39 | Num_rotatable_bonds: | 10 |
| MolWt: | 692.43 | Num_heavy_atoms: | 46 |
| TPSA: | 360.88 | NumAromaticRings: | 4 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
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 |
AD01192
Formula: C5H4ON5
Smiles:
Nc1nc(=O)c2c([nH]1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
