Glycoside
GD027156
Name:
NoneFormula:
C18H27O4N5SSmiles:
Nc1nc(SCCC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1nc(SCCC2CCCCC2)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.72 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 409.51 | Num_heavy_atoms: | 28 |
| TPSA: | 139.54 | NumAromaticRings: | 2 |
Unique Aglycone
AD09673
Formula: C13H18N5S
Smiles:
Nc1nc(SCCC2CCCCC2)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 276.39 | Num_heavy_atoms: | 19 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
