Glycoside
GD013513
Name:
NoneFormula:
C14H20O6N6SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[S+]([O-])CC[C@H](N)C(=O)O)[C@H](O)[C@H]1OAglycone:
C[S+]([O-])CCC(N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -2.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 400.42 | Num_heavy_atoms: | 27 |
| TPSA: | 205.69 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD10074
Formula: C5H11O3NS
Smiles:
C[S+]([O-])CCC(N)C(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 165.21 | Num_heavy_atoms: | 10 |
| TPSA: | 86.38 | NumAromaticRings: | 0 |
