Glycoside
GD101778
Name:
NoneFormula:
C18H21O6N2SBrSmiles:
Cn1cc(Br)cc1C(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1Aglycone:
Cn1cc(Br)cc1C(=O)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 5 |
| MolWt: | 473.35 | Num_heavy_atoms: | 28 |
| TPSA: | 124.18 | NumAromaticRings: | 2 |
Unique Aglycone
AD43098
Formula: C12H11ON2SBr
Smiles:
Cn1cc(Br)cc1C(=O)Nc1ccc(S)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 311.2 | Num_heavy_atoms: | 17 |
| TPSA: | 34.03 | NumAromaticRings: | 2 |
