Glycoside
GD005196
Name:
PHESAFormula:
C19H23O7N7SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)[C@H](N)Cc2ccccc2)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)C(N)Cc1ccccc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.37 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 8 |
| MolWt: | 493.5 | Num_heavy_atoms: | 34 |
| TPSA: | 217.8 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD04439
Formula: C10H14O4N2S
Smiles:
COS(=O)(=O)NC(=O)C(N)Cc1ccccc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 258.3 | Num_heavy_atoms: | 17 |
| TPSA: | 98.49 | NumAromaticRings: | 1 |
