Glycoside
GD082787
Name:
NoneFormula:
C15H18O6N6SSmiles:
C#CC[S@](=O)Cc1cn([C@]2(CO)O[C@@H](n3ccc(N)nc3=O)[C@@H](O)[C@@H]2O)nn1Aglycone:
C#CCS(=O)CC1=C[N]N=N1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -3.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 410.41 | Num_heavy_atoms: | 28 |
| TPSA: | 178.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD29318
Formula: C6H6ON3S
Smiles:
C#CCS(=O)CC1=C[N]N=N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 168.2 | Num_heavy_atoms: | 11 |
| TPSA: | 55.89 | NumAromaticRings: | 0 |
