Glycoside
GD002999
Name:
NoneFormula:
C18H19O8N5SSmiles:
Nc1ncnc2c1ccn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)c1ccccc1O.Nc1ncnc2c1C=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.28 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 6 |
| MolWt: | 465.44 | Num_heavy_atoms: | 32 |
| TPSA: | 199.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD00138
Formula: C6H5N4
Smiles:
Nc1ncnc2c1C=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 133.13 | Num_heavy_atoms: | 10 |
| TPSA: | 65.9 | NumAromaticRings: | 1 |
AD00564
Formula: C8H9O5NS
Smiles:
COS(=O)(=O)NC(=O)c1ccccc1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 231.23 | Num_heavy_atoms: | 15 |
| TPSA: | 92.7 | NumAromaticRings: | 1 |
