Glycoside
GD090253
Name:
NoneFormula:
C16H16O4N8S2Smiles:
OC[C@H]1O[C@@H](n2cnc3c(Sc4nnnn4Cc4cccs4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2Sc2nnnn2Cc2cccs2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 448.49 | Num_heavy_atoms: | 30 |
| TPSA: | 157.12 | NumAromaticRings: | 4 |
Unique Aglycone
AD39277
Formula: C11H7N8S2
Smiles:
C1=Nc2c(ncnc2Sc2nnnn2Cc2cccs2)[N]1| HBA: | 8 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.09 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 315.37 | Num_heavy_atoms: | 21 |
| TPSA: | 95.84 | NumAromaticRings: | 3 |
