Glycoside
GD097106
Name:
NoneFormula:
C17H18O7N3ClS2Smiles:
O=S(=O)(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1)c1cnc(Cl)nc1Aglycone:
O=S(=O)(Nc1ccc(S)cc1)c1cnc(Cl)nc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 6 |
| MolWt: | 463.92 | Num_heavy_atoms: | 29 |
| TPSA: | 162.1 | NumAromaticRings: | 2 |
Unique Aglycone
AD41280
Formula: C11H8O2N3ClS2
Smiles:
O=S(=O)(Nc1ccc(S)cc1)c1cnc(Cl)nc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 301.78 | Num_heavy_atoms: | 18 |
| TPSA: | 71.95 | NumAromaticRings: | 2 |
