Glycoside
GD014402
Name:
NoneFormula:
C16H17O6N5Smiles:
NC(=O)c1c(-c2ccco2)n([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c2ncnc(N)c12Aglycone:
NC(=O)C1=C(c2ccco2)[N]c2ncnc(N)c21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.31 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 375.34 | Num_heavy_atoms: | 27 |
| TPSA: | 182.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD10593
Formula: C11H8O2N5
Smiles:
NC(=O)C1=C(c2ccco2)[N]c2ncnc(N)c21| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 242.22 | Num_heavy_atoms: | 18 |
| TPSA: | 122.13 | NumAromaticRings: | 2 |
