Glycoside
GD031665
Name:
NoneFormula:
C15H20O9N6SSmiles:
Nc1nccc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)[C@H](N)CC(=O)O)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)C(N)CC(=O)O.Nc1nccc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.47 |
| AlogP: | -3.19 | Num_rotatable_bonds: | 8 |
| MolWt: | 460.43 | Num_heavy_atoms: | 31 |
| TPSA: | 242.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD01566
Formula: C6H5N4
Smiles:
Nc1nccc2c1N=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 0 |
| MolWt: | 133.13 | Num_heavy_atoms: | 10 |
| TPSA: | 65.37 | NumAromaticRings: | 1 |
AD12774
Formula: C5H10O6N2S
Smiles:
COS(=O)(=O)NC(=O)C(N)CC(=O)O| HBA: | 8 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -2.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 226.21 | Num_heavy_atoms: | 14 |
| TPSA: | 135.79 | NumAromaticRings: | 0 |
