Glycoside
GD001886
Name:
NoneFormula:
C21H24O7N8SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)[C@H](N)Cc2c[nH]c3ccccc23)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)C(N)Cc1c[nH]c2ccccc12.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.33 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 8 |
| MolWt: | 532.54 | Num_heavy_atoms: | 37 |
| TPSA: | 233.59 | NumAromaticRings: | 4 |
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 |
AD01841
Formula: C12H15O4N3S
Smiles:
COS(=O)(=O)NC(=O)C(N)Cc1c[nH]c2ccccc12| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 297.34 | Num_heavy_atoms: | 20 |
| TPSA: | 114.28 | NumAromaticRings: | 2 |
