Glycoside
GD018553
Name:
NoneFormula:
C16H22O4N6Smiles:
C=Cn1cc(CNC[C@@H]2O[C@H](n3ccc(N)nc3=O)[C@H](O)[C@H]2O)c(C)n1Aglycone:
C=Cn1cc(CNC)c(C)n1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 362.39 | Num_heavy_atoms: | 26 |
| TPSA: | 140.45 | 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 |
AD13068
Formula: C8H13N3
Smiles:
C=Cn1cc(CNC)c(C)n1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 151.21 | Num_heavy_atoms: | 11 |
| TPSA: | 29.85 | NumAromaticRings: | 1 |
