Glycoside
GD102403
Name:
NoneFormula:
C19H17O6N3Cl2SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1)c1ncnc(Cl)c1ClAglycone:
O=C(Nc1ccc(S)cc1)c1ncnc(Cl)c1ClSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 5 |
| MolWt: | 462.31 | Num_heavy_atoms: | 29 |
| TPSA: | 145.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD43340
Formula: C13H7ON3Cl2S
Smiles:
O=C(Nc1ccc(S)cc1)c1ncnc(Cl)c1Cl| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.17 | Num_heavy_atoms: | 18 |
| TPSA: | 54.88 | NumAromaticRings: | 2 |
