Glycoside
GD037009
Name:
NoneFormula:
C14H15O7N5SSmiles:
NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(-c4ccco4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2-c2ccco2)[N]1.COS(N)(=O)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 397.37 | Num_heavy_atoms: | 27 |
| TPSA: | 175.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD00036
Formula: CH5O3NS
Smiles:
COS(N)(=O)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.39 | NumAromaticRings: | 0 |
AD08032
Formula: C9H5ON4
Smiles:
C1=Nc2c(ncnc2-c2ccco2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 1 |
| MolWt: | 185.17 | Num_heavy_atoms: | 14 |
| TPSA: | 65.38 | NumAromaticRings: | 2 |
