Glycoside
GD081193
Name:
NoneFormula:
C16H24O8N2SSmiles:
O=S(=O)(c1ccc(N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1)N1CCOCC1Aglycone:
Nc1ccc(S(=O)(=O)N2CCOCC2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 404.44 | Num_heavy_atoms: | 27 |
| TPSA: | 148.79 | NumAromaticRings: | 1 |
Unique Aglycone
AD36614
Formula: C10H14O3N2S
Smiles:
Nc1ccc(S(=O)(=O)N2CCOCC2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 242.3 | Num_heavy_atoms: | 16 |
| TPSA: | 72.63 | NumAromaticRings: | 1 |
