Glycoside
GD018983
Name:
NoneFormula:
C28H32O10N6SSmiles:
COc1ccc(C(=O)Nc2nc3ccccc3n2CC(=O)NNC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1Aglycone:
COc1ccc(C(=O)Nc2nc3ccccc3n2CC(=O)NNC(N)=S)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 9 |
| MolWt: | 644.66 | Num_heavy_atoms: | 45 |
| TPSA: | 211.6 | NumAromaticRings: | 3 |
Unique Aglycone
AD13304
Formula: C18H18O3N6S
Smiles:
COc1ccc(C(=O)Nc2nc3ccccc3n2CC(=O)NNC(N)=S)cc1| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.11 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 398.45 | Num_heavy_atoms: | 28 |
| TPSA: | 123.3 | NumAromaticRings: | 3 |
