Glycoside
GD012464
Name:
NoneFormula:
C16H19O14N6P3SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](O)(=S)OP(=O)(O)OP(=O)(O)Oc2cccc([N+](=O)[O-])c2)[C@H](O)[C@H]1OAglycone:
COP(O)(=S)OP(=O)(O)OP(=O)(O)Oc1cccc([N+](=O)[O-])c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.31 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 11 |
| MolWt: | 644.35 | Num_heavy_atoms: | 40 |
| TPSA: | 294.2 | 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 |
AD09398
Formula: C7H10O11NP3S
Smiles:
COP(O)(=S)OP(=O)(O)OP(=O)(O)Oc1cccc([N+](=O)[O-])c1| HBA: | 12 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 8 |
| MolWt: | 409.14 | Num_heavy_atoms: | 23 |
| TPSA: | 174.89 | NumAromaticRings: | 1 |
