Glycoside
GD034853
Name:
NoneFormula:
C18H24O9N4SSmiles:
CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(-c3ccc(S(=O)(=O)NC(C)=O)cc3)nn2)[C@H]1OAglycone:
CC(=O)NS(=O)(=O)c1ccc(-n2cc(CO)nn2)cc1Sugarmoiety:
COC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 8 |
| MolWt: | 472.48 | Num_heavy_atoms: | 32 |
| TPSA: | 182.33 | NumAromaticRings: | 2 |
Unique Aglycone
AD22105
Formula: C11H12O4N4S
Smiles:
CC(=O)NS(=O)(=O)c1ccc(-n2cc(CO)nn2)cc1| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 296.31 | Num_heavy_atoms: | 20 |
| TPSA: | 114.18 | NumAromaticRings: | 2 |
