Glycoside
GD022261
Name:
NoneFormula:
C17H25O4N5SSmiles:
Nc1nc(SCC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1nc(SCC2CCCCC2)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 395.49 | Num_heavy_atoms: | 27 |
| TPSA: | 139.54 | NumAromaticRings: | 2 |
Unique Aglycone
AD15111
Formula: C12H16N5S
Smiles:
Nc1nc(SCC2CCCCC2)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.58 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 262.36 | Num_heavy_atoms: | 18 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
