Glycoside
GD018480
Name:
NoneFormula:
C16H19O5N3SSmiles:
NC(=O)c1ncn(C2O[C@H](CO)[C@H](O)[C@H]2O)c1SCc1ccccc1Aglycone:
NC(=O)C1=C(SCc2ccccc2)[N]C=N1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 365.41 | Num_heavy_atoms: | 25 |
| TPSA: | 130.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD13034
Formula: C11H10ON3S
Smiles:
NC(=O)C1=C(SCc2ccccc2)[N]C=N1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 232.29 | Num_heavy_atoms: | 16 |
| TPSA: | 69.55 | NumAromaticRings: | 1 |
