Glycoside
GD008729
Name:
NoneFormula:
C10H15O10N5P2SSmiles:
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)(S)OP(=O)(O)O)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(S)OP(=O)(O)O.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 459.27 | Num_heavy_atoms: | 28 |
| TPSA: | 232.34 | NumAromaticRings: | 2 |
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 |
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 |
