Glycoside
GD044864
Name:
NoneFormula:
C9H16O7N2SSmiles:
C[C@@H](C#N)S(=O)(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)COAglycone:
CC(C#N)S(N)(=O)=OSugarmoiety:
O=CC(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.78 |
| AlogP: | -3.54 | Num_rotatable_bonds: | 8 |
| MolWt: | 296.3 | Num_heavy_atoms: | 19 |
| TPSA: | 167.95 | NumAromaticRings: | 0 |
Unique Aglycone
AD25115
Formula: C3H6O2N2S
Smiles:
CC(C#N)S(N)(=O)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 134.16 | Num_heavy_atoms: | 8 |
| TPSA: | 83.95 | NumAromaticRings: | 0 |
