Glycoside
GD100671
Name:
NoneFormula:
C18H15O6N5Cl2SSmiles:
O=S(=O)(Nc1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccc(Cl)nc1ClAglycone:
O=S(=O)(Nc1ncnc2c1C=C[N]2)c1ccc(Cl)nc1ClSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 476.3 | Num_heavy_atoms: | 30 |
| TPSA: | 159.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD42501
Formula: C13H6O2N5Cl2S
Smiles:
O=S(=O)(Nc1ncnc2c1C=C[N]2)c1ccc(Cl)nc1Cl| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 343.18 | Num_heavy_atoms: | 21 |
| TPSA: | 98.94 | NumAromaticRings: | 2 |
