Glycoside
GD098043
Name:
NoneFormula:
C22H28O9N2SSmiles:
O=S(=O)(c1ccc(Nc2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)cc1)N1CCOCC1Aglycone:
O=S(=O)(c1ccc(Nc2ccc(O)cc2)cc1)N1CCOCC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 496.54 | Num_heavy_atoms: | 34 |
| TPSA: | 158.02 | NumAromaticRings: | 2 |
Unique Aglycone
AD41712
Formula: C16H18O4N2S
Smiles:
O=S(=O)(c1ccc(Nc2ccc(O)cc2)cc1)N1CCOCC1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 334.4 | Num_heavy_atoms: | 23 |
| TPSA: | 78.87 | NumAromaticRings: | 2 |
