Glycoside
GD031279
Name:
NoneFormula:
C20H23O10N2SBrSmiles:
COC(=O)c1cc(S(=O)(=O)NC[C@@H]2OC(O)[C@H](NC(=O)c3cccc(Br)c3)[C@H](O)[C@H]2O)oc1CAglycone:
CNS(=O)(=O)c1cc(C(=O)OC)c(C)o1.NC(=O)c1cccc(Br)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 563.38 | Num_heavy_atoms: | 34 |
| TPSA: | 184.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD19143
Formula: C7H6ONBr
Smiles:
NC(=O)c1cccc(Br)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 200.03 | Num_heavy_atoms: | 10 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
AD20167
Formula: C8H11O5NS
Smiles:
CNS(=O)(=O)c1cc(C(=O)OC)c(C)o1| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 233.24 | Num_heavy_atoms: | 15 |
| TPSA: | 85.61 | NumAromaticRings: | 1 |
