Glycoside
GD009165
Name:
NoneFormula:
C15H20O8N4SSmiles:
NS(=O)(=O)c1ccc(-n2cc(CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1Aglycone:
NS(=O)(=O)c1ccc(-n2cc(CO)nn2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | -2.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 416.41 | Num_heavy_atoms: | 28 |
| TPSA: | 190.25 | 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 |
