Glycoside
GD024217
Name:
NoneFormula:
C22H25O6N7Smiles:
COc1ccccc1C(=O)N1CCN(C(=O)[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)CC1Aglycone:
COc1ccccc1C(=O)N1CCN(C=O)CC1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 483.49 | Num_heavy_atoms: | 35 |
| TPSA: | 169.16 | 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 |
AD11264
Formula: C13H16O3N2
Smiles:
COc1ccccc1C(=O)N1CCN(C=O)CC1| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.38 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 248.28 | Num_heavy_atoms: | 18 |
| TPSA: | 49.85 | NumAromaticRings: | 1 |
