Glycoside
GD031483
Name:
NoneFormula:
C24H24O7N6SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2)[C@H](O)[C@H]1OAglycone:
COC(=O)c1ccc(S(=O)(=O)NCc2ccccc2)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 8 |
| MolWt: | 540.56 | Num_heavy_atoms: | 38 |
| TPSA: | 191.78 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD20277
Formula: C15H15O4NS
Smiles:
COC(=O)c1ccc(S(=O)(=O)NCc2ccccc2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.13 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 5 |
| MolWt: | 305.36 | Num_heavy_atoms: | 21 |
| TPSA: | 72.47 | NumAromaticRings: | 2 |
