Glycoside
GD023599
Name:
NoneFormula:
C12H14O5N5ClSSmiles:
CS(=O)(=O)C[C@@H]1O[C@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
CS(C)(=O)=O.Nc1nc(Cl)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 363.78 | Num_heavy_atoms: | 23 |
| TPSA: | 153.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD00116
Formula: C2H6O2S
Smiles:
CS(C)(=O)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 0 |
| MolWt: | 94.13 | Num_heavy_atoms: | 5 |
| TPSA: | 34.14 | NumAromaticRings: | 0 |
AD00532
Formula: C6H3N5Cl
Smiles:
Nc1nc(Cl)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 0 |
| MolWt: | 168.57 | Num_heavy_atoms: | 11 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
