Glycoside
GD000027
Name:
NoneFormula:
C20H17O7N2Cl3S2Smiles:
O=C(N[C@@H]1C(O)O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@H](O)[C@H]1O)c1ccc(Cl)s1Aglycone:
CNS(=O)(=O)c1cccc(Cl)c1Cl.NC(=O)c1ccc(Cl)s1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 531.82 | Num_heavy_atoms: | 31 |
| TPSA: | 145.19 | NumAromaticRings: | 2 |
Unique Aglycone
AD00037
Formula: C9H7O2NCl2S
Smiles:
CNS(=O)(=O)c1cccc(Cl)c1Cl| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 240.11 | Num_heavy_atoms: | 13 |
| TPSA: | 46.17 | NumAromaticRings: | 1 |
AD00038
Formula: C6H4ONClS
Smiles:
NC(=O)c1ccc(Cl)s1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 161.61 | Num_heavy_atoms: | 9 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
