Glycoside
GD091027
Name:
NoneFormula:
C21H24O5N6Smiles:
NC(=O)c1ccc(CN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2CC2)cc1Aglycone:
NC(=O)c1ccc(CN(c2ncnc3c2N=C[N]3)C2CC2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 440.46 | Num_heavy_atoms: | 32 |
| TPSA: | 159.85 | NumAromaticRings: | 3 |
Unique Aglycone
AD39654
Formula: C16H15ON6
Smiles:
NC(=O)c1ccc(CN(c2ncnc3c2N=C[N]3)C2CC2)cc1| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 307.34 | Num_heavy_atoms: | 23 |
| TPSA: | 98.57 | NumAromaticRings: | 2 |
