Glycoside
GD082616
Name:
NoneFormula:
C14H15O7N9Smiles:
Nc1ncnc2c1[nH]/c(=N\N=C1C(=O)NC(=O)NC1=O)n2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1OAglycone:
Nc1ncnc2c1NC(=NN=C1C(=O)NC(=O)NC1=O)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.36 |
| AlogP: | -4.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 421.33 | Num_heavy_atoms: | 30 |
| TPSA: | 242.43 | NumAromaticRings: | 2 |
Unique Aglycone
AD37082
Formula: C9H6O3N9
Smiles:
Nc1ncnc2c1NC(=NN=C1C(=O)NC(=O)NC1=O)[N]2| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | -2.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.21 | Num_heavy_atoms: | 21 |
| TPSA: | 177.92 | NumAromaticRings: | 1 |
