Glycoside
GD022791
Name:
NoneFormula:
C19H27O16N8P2Smiles:
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OCc3cn([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COP(=O)([O-])OP(=O)(O)OCC1=C[N]N=N1.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.63 |
| AlogP: | -5.3 | Num_rotatable_bonds: | 11 |
| MolWt: | 685.41 | Num_heavy_atoms: | 45 |
| TPSA: | 365.26 | NumAromaticRings: | 3 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| 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 |
AD15408
Formula: C4H7O7N3P2
Smiles:
COP(=O)([O-])OP(=O)(O)OCC1=C[N]N=N1| HBA: | 10 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 271.06 | Num_heavy_atoms: | 16 |
| TPSA: | 143.94 | NumAromaticRings: | 0 |
