Glycoside
GD017280
Name:
NoneFormula:
C24H26O5N8Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNCc2ccc(OCC(=O)Nc3ccccn3)cc2)[C@H](O)[C@H]1OAglycone:
CNCc1ccc(OCC(=O)Nc2ccccn2)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 9 |
| MolWt: | 506.52 | Num_heavy_atoms: | 37 |
| TPSA: | 182.56 | NumAromaticRings: | 4 |
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 |
AD12344
Formula: C15H17O2N3
Smiles:
CNCc1ccc(OCC(=O)Nc2ccccn2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 271.32 | Num_heavy_atoms: | 20 |
| TPSA: | 63.25 | NumAromaticRings: | 2 |
