Glycoside
GD030793
Name:
NoneFormula:
C16H21O5N7Smiles:
NC(=O)c1ncn([C@@H]2O[C@H](CNC(=O)[C@H](N)Cc3cccnc3)[C@H](O)[C@H]2O)n1Aglycone:
CNC(=O)C(N)Cc1cccnc1.NC(=O)C1=N[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -2.92 | Num_rotatable_bonds: | 7 |
| MolWt: | 391.39 | Num_heavy_atoms: | 28 |
| TPSA: | 191.5 | NumAromaticRings: | 2 |
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 |
AD19918
Formula: C9H13ON3
Smiles:
CNC(=O)C(N)Cc1cccnc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 179.22 | Num_heavy_atoms: | 13 |
| TPSA: | 68.01 | NumAromaticRings: | 1 |
