Glycoside
GD056673
Name:
NoneFormula:
C12H19O7N3SSmiles:
Cc1cc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)nc(S(C)(=O)=O)n1Aglycone:
Cc1cc(N)nc(S(C)(=O)=O)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -2.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 349.37 | Num_heavy_atoms: | 23 |
| TPSA: | 162.1 | NumAromaticRings: | 1 |
Unique Aglycone
AD28481
Formula: C6H9O2N3S
Smiles:
Cc1cc(N)nc(S(C)(=O)=O)n1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 187.22 | Num_heavy_atoms: | 12 |
| TPSA: | 85.94 | NumAromaticRings: | 1 |
