Glycoside
GD029066
Name:
NoneFormula:
C22H27O12N6P2ClSSmiles:
Nc1ncnc2c1nc(Sc1ccc(Cl)cc1)n2C1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]2NC[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OCC1NCC(O)C1O.Nc1ncnc2c1N=C(Sc1ccc(Cl)cc1)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.48 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 11 |
| MolWt: | 684.95 | Num_heavy_atoms: | 43 |
| TPSA: | 274.09 | NumAromaticRings: | 3 |
Unique Aglycone
AD01888
Formula: C6H15O9NP2
Smiles:
COP(=O)(O)OP(=O)(O)OCC1NCC(O)C1O| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 307.13 | Num_heavy_atoms: | 18 |
| TPSA: | 154.78 | NumAromaticRings: | 0 |
AD08531
Formula: C12H7N5ClS
Smiles:
Nc1ncnc2c1N=C(Sc1ccc(Cl)cc1)[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 276.73 | Num_heavy_atoms: | 18 |
| TPSA: | 78.26 | NumAromaticRings: | 2 |
