Glycoside
GD071596
Name:
NoneFormula:
C16H24O4N6SSmiles:
OC[C@H]1O[C@@H](n2cnc3c(NCCN4CCSCC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2NCCN2CCSCC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 396.47 | Num_heavy_atoms: | 27 |
| TPSA: | 128.79 | NumAromaticRings: | 2 |
Unique Aglycone
AD33639
Formula: C11H15N6S
Smiles:
C1=Nc2c(ncnc2NCCN2CCSCC2)[N]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 4 |
| MolWt: | 263.35 | Num_heavy_atoms: | 18 |
| TPSA: | 67.51 | NumAromaticRings: | 1 |
