Glycoside
GD098775
Name:
NoneFormula:
C16H17O7N4BrSmiles:
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1NC(=O)Oc1ccc(Br)cc1Aglycone:
NC(=O)C1=C(NC(=O)Oc2ccc(Br)cc2)[N]C=N1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.31 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 457.24 | Num_heavy_atoms: | 28 |
| TPSA: | 169.16 | NumAromaticRings: | 2 |
Unique Aglycone
AD42020
Formula: C11H8O3N4Br
Smiles:
NC(=O)C1=C(NC(=O)Oc2ccc(Br)cc2)[N]C=N1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 3 |
| MolWt: | 324.11 | Num_heavy_atoms: | 19 |
| TPSA: | 107.88 | NumAromaticRings: | 1 |
