Glycoside
GD080998
Name:
NoneFormula:
C17H16O5N7ClSmiles:
Nc1ccn([C@@H]2O[C@@](CO)(n3cc(-c4ccncc4Cl)nn3)[C@@H](O)[C@H]2O)c(=O)n1Aglycone:
Clc1cnccc1C1=C[N]N=N1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 421.8 | Num_heavy_atoms: | 29 |
| 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 |
AD28700
Formula: C8H4N4Cl
Smiles:
Clc1cnccc1C1=C[N]N=N1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 179.59 | Num_heavy_atoms: | 12 |
| TPSA: | 51.71 | NumAromaticRings: | 1 |
