Glycoside
GD098874
Name:
NoneFormula:
C18H21O6N7S2Smiles:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC(=S)Nc3ccc(S(N)(=O)=O)cc3)ncnc21Aglycone:
NS(=O)(=O)c1ccc(NC(=S)Nc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 495.54 | Num_heavy_atoms: | 33 |
| TPSA: | 186.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD42066
Formula: C12H10O2N7S2
Smiles:
NS(=O)(=O)c1ccc(NC(=S)Nc2ncnc3c2N=C[N]3)cc1| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 3 |
| MolWt: | 348.39 | Num_heavy_atoms: | 23 |
| TPSA: | 136.46 | NumAromaticRings: | 2 |
