Glycoside
GD068148
Name:
NoneFormula:
C15H15O4N5SSmiles:
OC[C@H]1O[C@@H](n2cnc3c(Sc4ccncc4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2Sc2ccncc2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 361.38 | Num_heavy_atoms: | 25 |
| TPSA: | 126.41 | NumAromaticRings: | 3 |
Unique Aglycone
AD32335
Formula: C10H6N5S
Smiles:
C1=Nc2c(ncnc2Sc2ccncc2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 228.26 | Num_heavy_atoms: | 16 |
| TPSA: | 65.13 | NumAromaticRings: | 2 |
