Glycoside
GD001551
Name:
NoneFormula:
C16H17O8N7SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccc[nH]c2=O)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)c1ccc[nH]c1=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.31 |
| AlogP: | -2.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 467.42 | Num_heavy_atoms: | 32 |
| TPSA: | 224.64 | NumAromaticRings: | 3 |
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 |
AD01547
Formula: C7H8O5N2S
Smiles:
COS(=O)(=O)NC(=O)c1ccc[nH]c1=O| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 232.22 | Num_heavy_atoms: | 15 |
| TPSA: | 105.33 | NumAromaticRings: | 1 |
