Glycoside
GD002094
Name:
NoneFormula:
C12H20O14N5P3SSmiles:
Nc1ncnc2c1nc(SCCO)n2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Nc1ncnc2c1N=C(SCCO)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.58 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 11 |
| MolWt: | 583.3 | Num_heavy_atoms: | 35 |
| TPSA: | 299.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD02029
Formula: C7H8ON5S
Smiles:
Nc1ncnc2c1N=C(SCCO)[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 210.24 | Num_heavy_atoms: | 14 |
| TPSA: | 98.49 | NumAromaticRings: | 1 |
