Glycoside
GD083192
Name:
NoneFormula:
C17H19O6N5SSmiles:
Cc1ccc(S(=O)(=O)[C@@H](O)[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H](O)[C@H]2O)cc1Aglycone:
Cc1ccc(S(=O)(=O)CO)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 421.44 | Num_heavy_atoms: | 29 |
| TPSA: | 173.68 | 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 |
AD37140
Formula: C8H10O3S
Smiles:
Cc1ccc(S(=O)(=O)CO)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 186.23 | Num_heavy_atoms: | 12 |
| TPSA: | 54.37 | NumAromaticRings: | 1 |
