Glycoside
GD100224
Name:
NoneFormula:
C18H19O7N2ClS2Smiles:
O=S(=O)(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1)c1ccc(Cl)nc1Aglycone:
O=S(=O)(Nc1ccc(S)cc1)c1ccc(Cl)nc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 462.93 | Num_heavy_atoms: | 29 |
| TPSA: | 149.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD42354
Formula: C12H9O2N2ClS2
Smiles:
O=S(=O)(Nc1ccc(S)cc1)c1ccc(Cl)nc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 300.79 | Num_heavy_atoms: | 18 |
| TPSA: | 59.06 | NumAromaticRings: | 2 |
