Glycoside
GD023697
Name:
NoneFormula:
C17H20O7N5PSSmiles:
Nc1nc([O-])c2c(n1)n([C@@H]1O[C@H](COP(=O)(O)S)[C@H](O)[C@H]1O)c[n+]2Cc1ccccc1Aglycone:
COP(=O)(O)S.Nc1nc([O-])c2c(n1)[N]C=[N+]2Cc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 6 |
| MolWt: | 469.42 | Num_heavy_atoms: | 31 |
| TPSA: | 179.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD00655
Formula: CH5O3PS
Smiles:
COP(=O)(O)S| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 1 |
| MolWt: | 128.09 | Num_heavy_atoms: | 6 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
AD10002
Formula: C12H10ON5
Smiles:
Nc1nc([O-])c2c(n1)[N]C=[N+]2Cc1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 240.25 | Num_heavy_atoms: | 18 |
| TPSA: | 91.97 | NumAromaticRings: | 2 |
