Glycoside
GD082246
Name:
NoneFormula:
C12H16O6N3SBrSmiles:
CSc1ncc(Br)c(C(=O)N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)n1Aglycone:
CSc1ncc(Br)c(C(N)=O)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 410.25 | Num_heavy_atoms: | 23 |
| TPSA: | 145.03 | NumAromaticRings: | 1 |
Unique Aglycone
AD36934
Formula: C6H6ON3SBr
Smiles:
CSc1ncc(Br)c(C(N)=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 2 |
| MolWt: | 248.1 | Num_heavy_atoms: | 12 |
| TPSA: | 68.87 | NumAromaticRings: | 1 |
