Glycoside
GD009948
Name:
NoneFormula:
C14H17O9N5P2Cl2SSmiles:
CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@H](O)[C@H]3O)c2n1Aglycone:
COP(=O)(O)C(Cl)(Cl)P(=O)(O)O.CSc1nc(N)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 540.22 | Num_heavy_atoms: | 31 |
| TPSA: | 223.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD00851
Formula: C6H6N5S
Smiles:
CSc1nc(N)c2c(n1)[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 180.22 | Num_heavy_atoms: | 12 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD04700
Formula: C4H6O6P2Cl2
Smiles:
COP(=O)(O)C(Cl)(Cl)P(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 258.92 | Num_heavy_atoms: | 12 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
