Glycoside
GD103652
Name:
NoneFormula:
C22H21O7N7Smiles:
Nc1ncnc2c1nc(N/N=C/c1ccc(OC(=O)c3ccco3)cc1)n2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1OAglycone:
Nc1ncnc2c1N=C(NN=Cc1ccc(OC(=O)c3ccco3)cc1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.23 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 7 |
| MolWt: | 495.45 | Num_heavy_atoms: | 36 |
| TPSA: | 203.37 | NumAromaticRings: | 4 |
Unique Aglycone
AD43852
Formula: C17H12O3N7
Smiles:
Nc1ncnc2c1N=C(NN=Cc1ccc(OC(=O)c3ccco3)cc1)[N]2| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 4 |
| MolWt: | 362.33 | Num_heavy_atoms: | 27 |
| TPSA: | 142.09 | NumAromaticRings: | 3 |
