Glycoside
GD058810
Name:
NoneFormula:
C14H15O6N5Smiles:
CC#CC(=O)Nc1ncnc2c1[nH]c(=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
CC#CC(=O)Nc1ncnc2[nH]c(=O)[nH]c12Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -2.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 349.3 | Num_heavy_atoms: | 25 |
| TPSA: | 162.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD29351
Formula: C9H7O2N5
Smiles:
CC#CC(=O)Nc1ncnc2[nH]c(=O)[nH]c12| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.11 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 217.19 | Num_heavy_atoms: | 16 |
| TPSA: | 103.53 | NumAromaticRings: | 2 |
