Glycoside
GD009166
Name:
NoneFormula:
C21H30O13N4SSmiles:
NS(=O)(=O)c1ccc(-n2cc(CO[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(-n2cc(CO)nn2)cc1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.62 |
| AlogP: | -4.94 | Num_rotatable_bonds: | 9 |
| MolWt: | 578.55 | Num_heavy_atoms: | 39 |
| TPSA: | 269.4 | NumAromaticRings: | 2 |
Unique Aglycone
AD07214
Formula: C9H10O3N4S
Smiles:
NS(=O)(=O)c1ccc(-n2cc(CO)nn2)cc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.11 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 254.27 | Num_heavy_atoms: | 17 |
| TPSA: | 111.1 | NumAromaticRings: | 2 |
