Glycoside
GD082473
Name:
NoneFormula:
C16H25O8N2SSmiles:
CC(C)([NH3+])CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)S(=O)(=O)c1ccccc1Aglycone:
CC(C)([NH3+])CNS(=O)(=O)c1ccccc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -3.13 | Num_rotatable_bonds: | 9 |
| MolWt: | 405.45 | Num_heavy_atoms: | 27 |
| TPSA: | 180.08 | NumAromaticRings: | 1 |
Unique Aglycone
AD37056
Formula: C10H17O2N2S
Smiles:
CC(C)([NH3+])CNS(=O)(=O)c1ccccc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 229.33 | Num_heavy_atoms: | 15 |
| TPSA: | 73.81 | NumAromaticRings: | 1 |
