Glycoside
GD091446
Name:
NoneFormula:
C13H17O5N6SBrSmiles:
COCNC(=S)Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
COCNC(=S)Nc1ncnc2c1N=C(Br)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 449.29 | Num_heavy_atoms: | 26 |
| TPSA: | 146.81 | NumAromaticRings: | 2 |
Unique Aglycone
AD39901
Formula: C8H8ON6SBr
Smiles:
COCNC(=S)Nc1ncnc2c1N=C(Br)[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 316.16 | Num_heavy_atoms: | 17 |
| TPSA: | 85.53 | NumAromaticRings: | 1 |
