Glycoside
GD100731
Name:
NoneFormula:
C21H26O7N4SSmiles:
COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ncnc2c1C=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 7 |
| MolWt: | 478.53 | Num_heavy_atoms: | 33 |
| TPSA: | 156.03 | NumAromaticRings: | 3 |
Unique Aglycone
AD42539
Formula: C16H17O3N4S
Smiles:
COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ncnc2c1C=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 345.4 | Num_heavy_atoms: | 24 |
| TPSA: | 95.28 | NumAromaticRings: | 2 |
