Glycoside
GD027986
Name:
NoneFormula:
C22H25O6N7Smiles:
NC(=O)c1ncn([C@@H]2O[C@H](CNCc3ccc(OCC(=O)Nc4ccccn4)cc3)[C@H](O)[C@H]2O)n1Aglycone:
CNCc1ccc(OCC(=O)Nc2ccccn2)cc1.NC(=O)C1=N[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 10 |
| MolWt: | 483.49 | Num_heavy_atoms: | 35 |
| TPSA: | 186.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD00218
Formula: C3H3ON4
Smiles:
NC(=O)C1=N[N]C=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.08 | Num_heavy_atoms: | 8 |
| TPSA: | 81.91 | NumAromaticRings: | 0 |
AD12344
Formula: C15H17O2N3
Smiles:
CNCc1ccc(OCC(=O)Nc2ccccn2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 271.32 | Num_heavy_atoms: | 20 |
| TPSA: | 63.25 | NumAromaticRings: | 2 |
