Glycoside
GD054803
Name:
NoneFormula:
C13H16O7N2SSmiles:
O=C(Nc1nc2c(s1)C(=O)CCC2)C(=O)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
Nc1nc2c(s1)C(=O)CCC2Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -1.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 344.35 | Num_heavy_atoms: | 23 |
| TPSA: | 157.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD27889
Formula: C7H8ON2S
Smiles:
Nc1nc2c(s1)C(=O)CCC2| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 0 |
| MolWt: | 168.22 | Num_heavy_atoms: | 11 |
| TPSA: | 55.98 | NumAromaticRings: | 1 |
