Glycoside
GD091419
Name:
NoneFormula:
C18H22O7N2S2Smiles:
O=S(=O)(Cc1ccccn1)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1Aglycone:
O=S(=O)(Cc1ccccn1)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 442.52 | Num_heavy_atoms: | 29 |
| TPSA: | 149.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD39887
Formula: C12H12O2N2S2
Smiles:
O=S(=O)(Cc1ccccn1)Nc1ccc(S)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 280.37 | Num_heavy_atoms: | 18 |
| TPSA: | 59.06 | NumAromaticRings: | 2 |
