Glycoside
GD081227
Name:
NoneFormula:
C11H13O8N2SBrSmiles:
COC(=O)c1nc(Br)sc1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
COC(=O)c1nc(Br)sc1NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 7 |
| MolWt: | 413.2 | Num_heavy_atoms: | 23 |
| TPSA: | 166.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD36623
Formula: C5H5O2N2SBr
Smiles:
COC(=O)c1nc(Br)sc1N| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 237.08 | Num_heavy_atoms: | 11 |
| TPSA: | 65.21 | NumAromaticRings: | 1 |
