Glycoside
GD026751
Name:
NoneFormula:
C17H21O14N6P3SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(S)OP(=O)(O)OP(=O)(O)OCc2cccc([N+](=O)[O-])c2)[C@H](O)[C@H]1OAglycone:
COP(=O)(S)OP(=O)(O)OP(=O)(O)OCc1cccc([N+](=O)[O-])c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 12 |
| MolWt: | 658.37 | Num_heavy_atoms: | 41 |
| TPSA: | 291.04 | 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 |
AD17621
Formula: C8H12O11NP3S
Smiles:
COP(=O)(S)OP(=O)(O)OP(=O)(O)OCc1cccc([N+](=O)[O-])c1| HBA: | 12 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 9 |
| MolWt: | 423.17 | Num_heavy_atoms: | 24 |
| TPSA: | 171.73 | NumAromaticRings: | 1 |
