Glycoside
GD101869
Name:
NoneFormula:
C18H20O6N3SBrSmiles:
Cc1ncc(Br)c(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)n1Aglycone:
Cc1ncc(Br)c(C(=O)Nc2ccc(S)cc2)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 486.34 | Num_heavy_atoms: | 29 |
| TPSA: | 145.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD43130
Formula: C12H10ON3SBr
Smiles:
Cc1ncc(Br)c(C(=O)Nc2ccc(S)cc2)n1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 3.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 324.2 | Num_heavy_atoms: | 18 |
| TPSA: | 54.88 | NumAromaticRings: | 2 |
