Glycoside
GD011223
Name:
NoneFormula:
C17H17O6N6SBrSmiles:
Cc1cc(S(=O)(=O)NC(=O)[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)ccc1BrAglycone:
Cc1cc(S(=O)(=O)NC=O)ccc1Br.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 513.33 | Num_heavy_atoms: | 31 |
| TPSA: | 182.55 | 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 |
AD08599
Formula: C8H8O3NSBr
Smiles:
Cc1cc(S(=O)(=O)NC=O)ccc1Br| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 278.13 | Num_heavy_atoms: | 14 |
| TPSA: | 63.24 | NumAromaticRings: | 1 |
