Glycoside
GD098505
Name:
NoneFormula:
C19H20O7N3ClSSmiles:
O=C(Cn1nc(Cl)ccc1=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1Aglycone:
O=C(Cn1nc(Cl)ccc1=O)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 457.89 | Num_heavy_atoms: | 30 |
| TPSA: | 154.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD41885
Formula: C13H10O2N3ClS
Smiles:
O=C(Cn1nc(Cl)ccc1=O)Nc1ccc(S)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 295.75 | Num_heavy_atoms: | 19 |
| TPSA: | 63.99 | NumAromaticRings: | 2 |
