Glycoside
GD032423
Name:
NoneFormula:
C18H17O7N7SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)c2noc3ccccc3c2=O)[C@H](O)[C@H]1OAglycone:
CNS(=O)(=O)c1noc2ccccc2c1=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 475.44 | Num_heavy_atoms: | 33 |
| TPSA: | 208.58 | 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 |
AD20798
Formula: C9H8O4N2S
Smiles:
CNS(=O)(=O)c1noc2ccccc2c1=O| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 240.24 | Num_heavy_atoms: | 16 |
| TPSA: | 89.27 | NumAromaticRings: | 2 |
