Glycoside
GD100729
Name:
NoneFormula:
C20H22O8N4SSmiles:
CCOC(=O)c1ccc(S(=O)(=O)Nc2ncnc3c2ccn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1Aglycone:
CCOC(=O)c1ccc(S(=O)(=O)Nc2ncnc3c2C=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 478.48 | Num_heavy_atoms: | 33 |
| TPSA: | 173.1 | NumAromaticRings: | 3 |
Unique Aglycone
AD42537
Formula: C15H13O4N4S
Smiles:
CCOC(=O)c1ccc(S(=O)(=O)Nc2ncnc3c2C=C[N]3)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.13 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 345.36 | Num_heavy_atoms: | 24 |
| TPSA: | 112.35 | NumAromaticRings: | 2 |
