Glycoside
GD015434
Name:
NoneFormula:
C23H30O13N6P2Smiles:
NC(=O)c1cccc([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c1Aglycone:
COP(=O)(O)CP(=O)(O)OC.NC(=O)c1ccccc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.48 |
| AlogP: | -1.65 | Num_rotatable_bonds: | 11 |
| MolWt: | 660.47 | Num_heavy_atoms: | 44 |
| TPSA: | 305.15 | NumAromaticRings: | 3 |
Unique Aglycone
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 |
AD00695
Formula: C3H10O6P2
Smiles:
COP(=O)(O)CP(=O)(O)OC| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 4 |
| MolWt: | 204.05 | Num_heavy_atoms: | 11 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
AD01413
Formula: C7H7ON
Smiles:
NC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 1 |
| MolWt: | 121.14 | Num_heavy_atoms: | 9 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
