Glycoside
GD082428
Name:
NoneFormula:
C18H29O7N2SSmiles:
Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)CC2)cc1Aglycone:
Cc1ccc(S(=O)(=O)N2CCC([NH3+])CC2)cc1Sugarmoiety:
OCC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -2.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 417.5 | Num_heavy_atoms: | 28 |
| TPSA: | 144.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD37044
Formula: C12H19O2N2S
Smiles:
Cc1ccc(S(=O)(=O)N2CCC([NH3+])CC2)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 255.36 | Num_heavy_atoms: | 17 |
| TPSA: | 65.02 | NumAromaticRings: | 1 |
