Glycoside
GD058779
Name:
NoneFormula:
C13H16O7N2SSmiles:
N#Cc1ccccc1S(=O)(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)COAglycone:
N#Cc1ccccc1S(N)(=O)=OSugarmoiety:
O=CC(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -2.52 | Num_rotatable_bonds: | 8 |
| MolWt: | 344.35 | Num_heavy_atoms: | 23 |
| TPSA: | 167.95 | NumAromaticRings: | 1 |
Unique Aglycone
AD29340
Formula: C7H6O2N2S
Smiles:
N#Cc1ccccc1S(N)(=O)=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 1 |
| MolWt: | 182.2 | Num_heavy_atoms: | 12 |
| TPSA: | 83.95 | NumAromaticRings: | 1 |
