Glycoside
GD009825
Name:
NoneFormula:
C15H14O9NCl2S2Smiles:
O=S(=O)([O-])ON=C(S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1cccc(Cl)c1ClAglycone:
O=S(=O)([O-])ON=C(S)c1cccc(Cl)c1ClSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 463.29 | Num_heavy_atoms: | 27 |
| TPSA: | 168.94 | NumAromaticRings: | 1 |
Unique Aglycone
AD07675
Formula: C9H4O4NCl2S2
Smiles:
O=S(=O)([O-])ON=C(S)c1cccc(Cl)c1Cl| HBA: | 5 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 301.15 | Num_heavy_atoms: | 16 |
| TPSA: | 78.79 | NumAromaticRings: | 1 |
