Glycoside
GD011373
Name:
NoneFormula:
C13H12O5N4Cl2Smiles:
OC[C@H](O)[C@@H]1O[C@H](n2cnc3c(Cl)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
Clc1nc(Cl)c2c(n1)[N]C=N2Sugarmoiety:
OCC(O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 351.15 | Num_heavy_atoms: | 22 |
| TPSA: | 133.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD05729
Formula: C7HN4Cl2
Smiles:
Clc1nc(Cl)c2c(n1)[N]C=N2| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 0 |
| MolWt: | 188.0 | Num_heavy_atoms: | 11 |
| TPSA: | 52.24 | NumAromaticRings: | 1 |
