Glycoside
GD101916
Name:
NoneFormula:
C17H19O7N2SBrSmiles:
Cc1nc(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)c(Br)o1Aglycone:
Cc1nc(C(=O)Nc2ccc(S)cc2)c(Br)o1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 475.32 | Num_heavy_atoms: | 28 |
| TPSA: | 145.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD43149
Formula: C11H9O2N2SBr
Smiles:
Cc1nc(C(=O)Nc2ccc(S)cc2)c(Br)o1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 3.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 313.18 | Num_heavy_atoms: | 17 |
| TPSA: | 55.13 | NumAromaticRings: | 2 |
