Glycoside
GD102322
Name:
NoneFormula:
C17H20O6N3SBrSmiles:
Cn1nc(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc2)cc1BrAglycone:
Cn1nc(C(=O)Nc2ccc(S)cc2)cc1BrSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 474.33 | Num_heavy_atoms: | 28 |
| TPSA: | 137.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD43304
Formula: C11H10ON3SBr
Smiles:
Cn1nc(C(=O)Nc2ccc(S)cc2)cc1Br| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 312.19 | Num_heavy_atoms: | 17 |
| TPSA: | 46.92 | NumAromaticRings: | 2 |
