Glycoside
GD017860
Name:
NoneFormula:
C11H20O13N5P3SSmiles:
C[n+]1cn([C@@H]2O[C@H](CO[P@@](=O)(S)OP(=O)(O)OP(=O)([O-])O)[C@H](O)[C@H]2O)c2c1C(O)NC(N)=N2Aglycone:
COP(=O)(S)OP(=O)(O)OP(=O)([O-])O.C[N+]1=C[N]C2=C1C(O)NC(N)=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.64 |
| AlogP: | -2.88 | Num_rotatable_bonds: | 8 |
| MolWt: | 555.29 | Num_heavy_atoms: | 33 |
| TPSA: | 271.56 | NumAromaticRings: | 1 |
Unique Aglycone
AD12695
Formula: CH6O9P3S
Smiles:
COP(=O)(S)OP(=O)(O)OP(=O)([O-])O| HBA: | 9 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 287.04 | Num_heavy_atoms: | 14 |
| TPSA: | 142.42 | NumAromaticRings: | 0 |
AD12696
Formula: C6H9ON5
Smiles:
C[N+]1=C[N]C2=C1C(O)NC(N)=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -2.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 167.17 | Num_heavy_atoms: | 12 |
| TPSA: | 87.75 | NumAromaticRings: | 0 |
