Glycoside
GD016204
Name:
NoneFormula:
C16H20O9N4SSmiles:
O=C1NC(=O)C(=Cc2ccc(S(=O)(=O)NN=CC(O)C(O)C(O)C(O)CO)cc2)N1Aglycone:
C=NNS(=O)(=O)c1ccc(C=C2NC(=O)NC2=O)cc1Sugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.31 |
| AlogP: | -3.43 | Num_rotatable_bonds: | 9 |
| MolWt: | 444.42 | Num_heavy_atoms: | 30 |
| TPSA: | 217.88 | NumAromaticRings: | 1 |
Unique Aglycone
AD00836
Formula: C11H10O4N4S
Smiles:
C=NNS(=O)(=O)c1ccc(C=C2NC(=O)NC2=O)cc1| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 294.29 | Num_heavy_atoms: | 20 |
| TPSA: | 116.73 | NumAromaticRings: | 1 |
