Glycoside
GD082845
Name:
NoneFormula:
C16H22O8N2SSmiles:
CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)ccc21Aglycone:
CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21Sugarmoiety:
O=CC(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -2.48 | Num_rotatable_bonds: | 8 |
| MolWt: | 402.43 | Num_heavy_atoms: | 27 |
| TPSA: | 164.47 | NumAromaticRings: | 1 |
Unique Aglycone
AD36591
Formula: C10H12O3N2S
Smiles:
CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 240.28 | Num_heavy_atoms: | 16 |
| TPSA: | 80.47 | NumAromaticRings: | 1 |
