Glycoside
GD001188
Name:
NoneFormula:
C22H27O4N7Smiles:
Cc1ccccc1CN1CCN(C(=O)[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)CC1Aglycone:
Cc1ccccc1CN1CCN(C=O)CC1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 453.5 | Num_heavy_atoms: | 33 |
| TPSA: | 142.86 | 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 |
AD01238
Formula: C13H18ON2
Smiles:
Cc1ccccc1CN1CCN(C=O)CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.46 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 218.3 | Num_heavy_atoms: | 16 |
| TPSA: | 23.55 | NumAromaticRings: | 1 |
