Glycoside
GD095551
Name:
NoneFormula:
C21H27O8N2SSmiles:
CS(=O)(=O)N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)[C@H](c1ccccc1)[C@H]([NH3+])c1ccccc1Aglycone:
CS(=O)(=O)NC(c1ccccc1)C([NH3+])c1ccccc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 10 |
| MolWt: | 467.52 | Num_heavy_atoms: | 32 |
| TPSA: | 180.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD40766
Formula: C15H19O2N2S
Smiles:
CS(=O)(=O)NC(c1ccccc1)C([NH3+])c1ccccc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.2 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 291.4 | Num_heavy_atoms: | 20 |
| TPSA: | 73.81 | NumAromaticRings: | 2 |
