Glycoside
GD028371
Name:
NoneFormula:
C20H28O12N4SSmiles:
NS(=O)(=O)c1ccc(-c2cn([C@@H]3O[C@H](CO)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn2)cc1Aglycone:
NS(=O)(=O)c1ccc(C2=C[N]N=N2)cc1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.6 |
| AlogP: | -4.61 | Num_rotatable_bonds: | 7 |
| MolWt: | 548.53 | Num_heavy_atoms: | 37 |
| TPSA: | 260.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD01018
Formula: C8H7O2N4S
Smiles:
NS(=O)(=O)c1ccc(C2=C[N]N=N2)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 2 |
| MolWt: | 223.24 | Num_heavy_atoms: | 15 |
| TPSA: | 98.98 | NumAromaticRings: | 1 |
