Glycoside
GD090687
Name:
NoneFormula:
C19H21O6N5SSmiles:
Cc1nccn2c(C(=O)Nc3ccc(S[C@@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@H]4O)cc3)nnc12Aglycone:
Cc1nccn2c(C(=O)Nc3ccc(S)cc3)nnc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 5 |
| MolWt: | 447.47 | Num_heavy_atoms: | 31 |
| TPSA: | 162.33 | NumAromaticRings: | 3 |
Unique Aglycone
AD39466
Formula: C13H11ON5S
Smiles:
Cc1nccn2c(C(=O)Nc3ccc(S)cc3)nnc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 285.33 | Num_heavy_atoms: | 20 |
| TPSA: | 72.18 | NumAromaticRings: | 3 |
