Glycoside
GD006070
Name:
NoneFormula:
C19H23O6N7SSmiles:
Nc1nc(O)c2ncn([C@@H]3O[C@H](CNS(=O)(=O)N4CCc5ccccc5C4)[C@H](O)[C@H]3O)c2n1Aglycone:
CNS(=O)(=O)N1CCc2ccccc2C1.Nc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 477.5 | Num_heavy_atoms: | 33 |
| TPSA: | 188.95 | NumAromaticRings: | 3 |
Unique Aglycone
AD00080
Formula: C5H4ON5
Smiles:
Nc1nc(O)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.49 | NumAromaticRings: | 1 |
AD05057
Formula: C10H14O2N2S
Smiles:
CNS(=O)(=O)N1CCc2ccccc2C1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 226.3 | Num_heavy_atoms: | 15 |
| TPSA: | 49.41 | NumAromaticRings: | 1 |
