Glycoside
GD101852
Name:
NoneFormula:
C18H22O6N3SBrSmiles:
Cc1nn(CC(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)cc1BrAglycone:
Cc1nn(CC(=O)Nc2ccc(S)cc2)cc1BrSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 488.36 | Num_heavy_atoms: | 29 |
| TPSA: | 137.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD43123
Formula: C12H12ON3SBr
Smiles:
Cc1nn(CC(=O)Nc2ccc(S)cc2)cc1Br| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 326.22 | Num_heavy_atoms: | 18 |
| TPSA: | 46.92 | NumAromaticRings: | 2 |
