Glycoside
GD070091
Name:
NoneFormula:
C14H14O4N4S2Smiles:
OC[C@H]1O[C@@H](n2cnc3c(Sc4cccs4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2Sc2cccs2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 366.42 | Num_heavy_atoms: | 24 |
| TPSA: | 113.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD33193
Formula: C9H5N4S2
Smiles:
C1=Nc2c(ncnc2Sc2cccs2)[N]1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 233.3 | Num_heavy_atoms: | 15 |
| TPSA: | 52.24 | NumAromaticRings: | 2 |
