Glycoside
GD081007
Name:
NoneFormula:
C15H17O5N7SSmiles:
Cc1csc(-c2cn([C@]3(CO)O[C@@H](n4ccc(N)nc4=O)[C@H](O)[C@@H]3O)nn2)n1Aglycone:
Cc1csc(C2=C[N]N=N2)n1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 407.41 | Num_heavy_atoms: | 28 |
| TPSA: | 174.43 | NumAromaticRings: | 3 |
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 |
AD28702
Formula: C6H5N4S
Smiles:
Cc1csc(C2=C[N]N=N2)n1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 165.2 | Num_heavy_atoms: | 11 |
| TPSA: | 51.71 | NumAromaticRings: | 1 |
