Glycoside
GD096267
Name:
NoneFormula:
C17H19O8N2SBrSmiles:
O=S(=O)(Nc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)c1cncc(Br)c1Aglycone:
O=S(=O)(Nc1ccc(O)cc1)c1cncc(Br)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 6 |
| MolWt: | 491.32 | Num_heavy_atoms: | 29 |
| TPSA: | 158.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD40941
Formula: C11H9O3N2SBr
Smiles:
O=S(=O)(Nc1ccc(O)cc1)c1cncc(Br)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 329.18 | Num_heavy_atoms: | 18 |
| TPSA: | 79.29 | NumAromaticRings: | 2 |
