Glycoside
GD087208
Name:
NoneFormula:
C10H15O9N2S2BrSmiles:
O=C(N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1ncc(Br)s1Aglycone:
COS(O)(O)O.NC(=O)c1ncc(Br)s1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 451.27 | Num_heavy_atoms: | 24 |
| TPSA: | 181.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD31147
Formula: C4H3ON2SBr
Smiles:
NC(=O)c1ncc(Br)s1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 207.05 | Num_heavy_atoms: | 9 |
| TPSA: | 55.98 | NumAromaticRings: | 1 |
