Glycoside
GD058681
Name:
NoneFormula:
C12H12O6N6Smiles:
N#Cc1cn([C@]2(CO)O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H](O)[C@@H]2O)nn1Aglycone:
N#CC1=C[N]N=N1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | -3.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 336.26 | Num_heavy_atoms: | 24 |
| TPSA: | 179.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD25197
Formula: C3HN4
Smiles:
N#CC1=C[N]N=N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 0 |
| MolWt: | 93.07 | Num_heavy_atoms: | 7 |
| TPSA: | 62.61 | NumAromaticRings: | 0 |
