Glycoside
GD015062
Name:
NoneFormula:
C21H24O6N8Smiles:
NC(=O)c1cccc(NC(=O)CCC(=O)NCC2OC(n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)c1Aglycone:
CNC(=O)CCC(=O)Nc1cccc(C(N)=O)c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.33 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 484.47 | Num_heavy_atoms: | 35 |
| TPSA: | 220.6 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD11000
Formula: C12H15O3N3
Smiles:
CNC(=O)CCC(=O)Nc1cccc(C(N)=O)c1| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 249.27 | Num_heavy_atoms: | 18 |
| TPSA: | 101.29 | NumAromaticRings: | 1 |
