Glycoside
GD035184
Name:
NoneFormula:
C12H20O11N5P3S2Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(O)(=S)OCP(=O)(O)COP(O)(O)=S)[C@H](O)[C@H]1OAglycone:
COP(O)(=S)OCP(=O)(O)COP(O)(O)=S.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.58 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 10 |
| MolWt: | 567.37 | Num_heavy_atoms: | 33 |
| TPSA: | 244.99 | 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 |
AD22278
Formula: C3H11O8P3S2
Smiles:
COP(O)(=S)OCP(=O)(O)COP(O)(O)=S| HBA: | 8 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 7 |
| MolWt: | 332.17 | Num_heavy_atoms: | 16 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
