Glycoside
GD088091
Name:
NoneFormula:
C18H26O9N2SSmiles:
COc1ccc(S(=O)(=O)NC2CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC2)cc1Aglycone:
COc1ccc(S(=O)(=O)NC2CCNCC2)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -2.39 | Num_rotatable_bonds: | 9 |
| MolWt: | 446.48 | Num_heavy_atoms: | 30 |
| TPSA: | 173.7 | NumAromaticRings: | 1 |
Unique Aglycone
AD38587
Formula: C12H18O3N2S
Smiles:
COc1ccc(S(=O)(=O)NC2CCNCC2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 4 |
| MolWt: | 270.35 | Num_heavy_atoms: | 18 |
| TPSA: | 67.43 | NumAromaticRings: | 1 |
