Glycoside
GD003835
Name:
NoneFormula:
C18H19O4N5ClSmiles:
Nc1c2ncn([C@@H]3OC[C@](O)(CO)[C@H]3O)c2nc[n+]1Cc1cccc(Cl)c1Aglycone:
Nc1c2c(nc[n+]1Cc1cccc(Cl)c1)[N]C=N2Sugarmoiety:
OCC1(O)COC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 392.82 | Num_heavy_atoms: | 27 |
| TPSA: | 130.53 | NumAromaticRings: | 3 |
Unique Aglycone
AD03425
Formula: C13H10N5Cl
Smiles:
Nc1c2c(nc[n+]1Cc1cccc(Cl)c1)[N]C=N2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 259.7 | Num_heavy_atoms: | 18 |
| TPSA: | 69.25 | NumAromaticRings: | 2 |
