Glycoside
GD098799
Name:
NoneFormula:
C14H17O6N6SBrSmiles:
CCOC(=O)NC(=S)Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
CCOC(=O)NC(=S)Nc1ncnc2c1N=C(Br)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 477.3 | Num_heavy_atoms: | 28 |
| TPSA: | 163.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD42032
Formula: C9H8O2N6SBr
Smiles:
CCOC(=O)NC(=S)Nc1ncnc2c1N=C(Br)[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 344.17 | Num_heavy_atoms: | 19 |
| TPSA: | 102.6 | NumAromaticRings: | 1 |
