Glycoside
GD092356
Name:
NoneFormula:
C18H17O6N5SSmiles:
N#Cc1ccccc1S(=O)(=O)Nc1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
N#Cc1ccccc1S(=O)(=O)Nc1ncnc2c1C=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 431.43 | Num_heavy_atoms: | 30 |
| TPSA: | 170.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD40293
Formula: C13H8O2N5S
Smiles:
N#Cc1ccccc1S(=O)(=O)Nc1ncnc2c1C=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 298.31 | Num_heavy_atoms: | 21 |
| TPSA: | 109.84 | NumAromaticRings: | 2 |
