Glycoside
GD099160
Name:
NoneFormula:
C18H18O6N7ClSmiles:
Nc1nc2c(nc(/N=N/Cc3cc(Cl)ccc3O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
Nc1nc2c(c(=O)[nH]1)N=C(N=NCc1cc(Cl)ccc1O)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 451.83 | Num_heavy_atoms: | 31 |
| TPSA: | 204.46 | NumAromaticRings: | 3 |
Unique Aglycone
AD42205
Formula: C13H9O2N7Cl
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C(N=NCc1cc(Cl)ccc1O)[N]2| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.08 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 318.7 | Num_heavy_atoms: | 22 |
| TPSA: | 143.18 | NumAromaticRings: | 2 |
