Glycoside
GD036015
Name:
NoneFormula:
C18H21O4N7Smiles:
NC(=O)c1ncn([C@@H]2O[C@H](CNCc3cccn3-c3ccncc3)[C@H](O)[C@H]2O)n1Aglycone:
CNCc1cccn1-c1ccncc1.NC(=O)C1=N[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 399.41 | Num_heavy_atoms: | 29 |
| TPSA: | 153.34 | 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 |
AD22753
Formula: C11H13N3
Smiles:
CNCc1cccn1-c1ccncc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 187.25 | Num_heavy_atoms: | 14 |
| TPSA: | 29.85 | NumAromaticRings: | 2 |
