Glycoside
GD004710
Name:
NoneFormula:
C10H14O5N5PS2Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)S)[C@H](O)[C@H]1OAglycone:
COP(=O)(S)S.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 379.36 | Num_heavy_atoms: | 23 |
| TPSA: | 145.61 | NumAromaticRings: | 2 |
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 |
AD04075
Formula: CH5O2PS2
Smiles:
COP(=O)(S)S| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 144.16 | Num_heavy_atoms: | 6 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
