Glycoside
GD033314
Name:
NoneFormula:
C22H28O11N4SSmiles:
[N-]=[N+]=Nc1cccc2c(S(=O)(=O)NCCOC3O[C@H](COC4O[C@H](CO)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)cccc12Aglycone:
[N-]=[N+]=Nc1cccc2c(S(=O)(=O)NCCO)cccc12Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 11 |
| MolWt: | 556.55 | Num_heavy_atoms: | 38 |
| TPSA: | 233.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD10666
Formula: C12H12O3N4S
Smiles:
[N-]=[N+]=Nc1cccc2c(S(=O)(=O)NCCO)cccc12| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 292.32 | Num_heavy_atoms: | 20 |
| TPSA: | 115.16 | NumAromaticRings: | 2 |
