Glycoside
GD017773
Name:
NoneFormula:
C21H25O5N7Smiles:
COc1ccccc1N1CCN(C(=O)[C@@H]2OC(n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)CC1Aglycone:
COc1ccccc1N1CCN(C=O)CC1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 4 |
| MolWt: | 455.48 | Num_heavy_atoms: | 33 |
| TPSA: | 152.09 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD12645
Formula: C12H16O2N2
Smiles:
COc1ccccc1N1CCN(C=O)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.42 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 3 |
| MolWt: | 220.27 | Num_heavy_atoms: | 16 |
| TPSA: | 32.78 | NumAromaticRings: | 1 |
