Glycoside
GD005158
Name:
ISATORIBINEFormula:
C10H12O6N4SSmiles:
Nc1nc(=O)c2sc(=O)n([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2[nH]1Aglycone:
Nc1nc(=O)c2sc(=O)[nH]c2[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -2.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.3 | Num_heavy_atoms: | 21 |
| TPSA: | 163.69 | NumAromaticRings: | 2 |
Unique Aglycone
AD04407
Formula: C5H4O2N4S
Smiles:
Nc1nc(=O)c2sc(=O)[nH]c2[nH]1| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 184.18 | Num_heavy_atoms: | 12 |
| TPSA: | 104.63 | NumAromaticRings: | 2 |
