Glycoside
GD094900
Name:
NoneFormula:
C18H18O9N4SSmiles:
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1NS(=O)(=O)c1ccc2oc(=O)ccc2c1Aglycone:
NC(=O)C1=C(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)[N]C=N1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.28 |
| AlogP: | -1.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 466.43 | Num_heavy_atoms: | 32 |
| TPSA: | 207.21 | NumAromaticRings: | 3 |
Unique Aglycone
AD40561
Formula: C13H9O5N4S
Smiles:
NC(=O)C1=C(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)[N]C=N1| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 333.31 | Num_heavy_atoms: | 23 |
| TPSA: | 145.93 | NumAromaticRings: | 2 |
