Glycoside
GD013470
Name:
NoneFormula:
C17H18O4N4SSmiles:
OCC1OC(n2cnc3c(SCc4ccccc4)ncnc32)C(O)C1OAglycone:
C1=Nc2c(ncnc2SCc2ccccc2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 374.42 | Num_heavy_atoms: | 26 |
| TPSA: | 113.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD10046
Formula: C12H9N4S
Smiles:
C1=Nc2c(ncnc2SCc2ccccc2)[N]1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 241.3 | Num_heavy_atoms: | 17 |
| TPSA: | 52.24 | NumAromaticRings: | 2 |
