Glycoside
GD100818
Name:
NoneFormula:
C21H22O8N4SSmiles:
COC(=O)/C=C/c1cccc(S(=O)(=O)Nc2ncnc3c2ccn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1Aglycone:
COC(=O)C=Cc1cccc(S(=O)(=O)Nc2ncnc3c2C=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 490.49 | Num_heavy_atoms: | 34 |
| TPSA: | 173.1 | NumAromaticRings: | 3 |
Unique Aglycone
AD42588
Formula: C16H13O4N4S
Smiles:
COC(=O)C=Cc1cccc(S(=O)(=O)Nc2ncnc3c2C=C[N]3)c1| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 357.37 | Num_heavy_atoms: | 25 |
| TPSA: | 112.35 | NumAromaticRings: | 2 |
