Glycoside
GD076156
Name:
NoneFormula:
C14H17O6N5SSmiles:
C[C@H](C#N)S(=O)(=O)Nc1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
CC(C#N)S(=O)(=O)Nc1ncnc2c1C=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 383.39 | Num_heavy_atoms: | 26 |
| TPSA: | 170.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD35183
Formula: C9H8O2N5S
Smiles:
CC(C#N)S(=O)(=O)Nc1ncnc2c1C=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 250.26 | Num_heavy_atoms: | 17 |
| TPSA: | 109.84 | NumAromaticRings: | 1 |
