Glycoside
GD062647
Name:
NoneFormula:
C12H15O7N5SSmiles:
Nc1nc2c(nc(SCC(=O)O)n2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]1Aglycone:
Nc1nc2c(c(=O)[nH]1)N=C(SCC(=O)O)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -2.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 373.35 | Num_heavy_atoms: | 25 |
| TPSA: | 196.81 | NumAromaticRings: | 2 |
Unique Aglycone
AD30346
Formula: C7H6O3N5S
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C(SCC(=O)O)[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.14 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 240.22 | Num_heavy_atoms: | 16 |
| TPSA: | 135.53 | NumAromaticRings: | 1 |
