Glycoside
GD005888
Name:
NoneFormula:
C14H20O7N4SSmiles:
N=C(NC(CCC(N)=O)C(=O)O)c1csc([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)n1Aglycone:
N=C(NC(CCC(N)=O)C(=O)O)c1cscn1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | -2.07 | Num_rotatable_bonds: | 8 |
| MolWt: | 388.4 | Num_heavy_atoms: | 26 |
| TPSA: | 199.08 | NumAromaticRings: | 1 |
Unique Aglycone
AD04935
Formula: C9H12O3N4S
Smiles:
N=C(NC(CCC(N)=O)C(=O)O)c1cscn1| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 256.29 | Num_heavy_atoms: | 17 |
| TPSA: | 129.16 | NumAromaticRings: | 1 |
