Glycoside
GD067430
Name:
NoneFormula:
C14H18O7N2SSmiles:
Cc1ccc(S(=O)(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1C#NAglycone:
Cc1ccc(S(N)(=O)=O)cc1C#NSugarmoiety:
O=CC(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -2.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 358.37 | Num_heavy_atoms: | 24 |
| TPSA: | 167.95 | NumAromaticRings: | 1 |
Unique Aglycone
AD32147
Formula: C8H8O2N2S
Smiles:
Cc1ccc(S(N)(=O)=O)cc1C#N| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 196.23 | Num_heavy_atoms: | 13 |
| TPSA: | 83.95 | NumAromaticRings: | 1 |
