Glycoside
GD006081
Name:
NoneFormula:
C8H14O10N4P2SSmiles:
NC(=O)c1ncn([C@@H]2O[C@H](CO[P@@](=O)(S)OP(=O)(O)O)[C@H](O)[C@H]2O)n1Aglycone:
COP(=O)(S)OP(=O)(O)O.NC(=O)C1=N[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -1.84 | Num_rotatable_bonds: | 7 |
| MolWt: | 420.23 | Num_heavy_atoms: | 25 |
| TPSA: | 216.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD00218
Formula: C3H3ON4
Smiles:
NC(=O)C1=N[N]C=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.08 | Num_heavy_atoms: | 8 |
| TPSA: | 81.91 | NumAromaticRings: | 0 |
AD05065
Formula: CH6O6P2S
Smiles:
COP(=O)(S)OP(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.07 | Num_heavy_atoms: | 10 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
