Glycoside
GD070549
Name:
NoneFormula:
C13H13O4N5S2Smiles:
OC[C@H]1O[C@@H](n2cnc3c(Sc4nccs4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2Sc2nccs2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 367.41 | Num_heavy_atoms: | 24 |
| TPSA: | 126.41 | NumAromaticRings: | 3 |
Unique Aglycone
AD33439
Formula: C8H4N5S2
Smiles:
C1=Nc2c(ncnc2Sc2nccs2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 234.29 | Num_heavy_atoms: | 15 |
| TPSA: | 65.13 | NumAromaticRings: | 2 |
