Glycoside
GD091670
Name:
NoneFormula:
C20H22O5N6Smiles:
Nc1ccn([C@@H]2O[C@@](CO)(n3cc(C4(c5ccccc5)CC4)nn3)[C@@H](O)[C@@H]2O)c(=O)n1Aglycone:
C1=C(C2(c3ccccc3)CC2)N=N[N]1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 426.43 | Num_heavy_atoms: | 31 |
| TPSA: | 161.54 | 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 |
AD29984
Formula: C11H10N3
Smiles:
C1=C(C2(c3ccccc3)CC2)N=N[N]1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.27 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 2 |
| MolWt: | 184.22 | Num_heavy_atoms: | 14 |
| TPSA: | 38.82 | NumAromaticRings: | 1 |
