Glycoside
GD085205
Name:
NoneFormula:
C19H17O6N5Smiles:
C#Cc1ccc(C(=O)Nc2ncnc3c2[nH]c(=O)n3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1Aglycone:
C#Cc1ccc(C(=O)Nc2ncnc3[nH]c(=O)[nH]c23)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 411.37 | Num_heavy_atoms: | 30 |
| TPSA: | 162.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD38116
Formula: C14H9O2N5
Smiles:
C#Cc1ccc(C(=O)Nc2ncnc3[nH]c(=O)[nH]c23)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 279.26 | Num_heavy_atoms: | 21 |
| TPSA: | 103.53 | NumAromaticRings: | 3 |
