Glycoside
GD013557
Name:
NoneFormula:
C16H20O8N4SSmiles:
CN1C(=O)NC(=Cc2ccc(S(=O)(=O)NN=CC(O)C(O)C(O)CO)cc2)C1=OAglycone:
C=NNS(=O)(=O)c1ccc(C=C2NC(=O)N(C)C2=O)cc1Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.31 |
| AlogP: | -2.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 428.42 | Num_heavy_atoms: | 29 |
| TPSA: | 188.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD10094
Formula: C12H12O4N4S
Smiles:
C=NNS(=O)(=O)c1ccc(C=C2NC(=O)N(C)C2=O)cc1| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 308.32 | Num_heavy_atoms: | 21 |
| TPSA: | 107.94 | NumAromaticRings: | 1 |
