Glycoside
GD015537
Name:
NoneFormula:
C22H24O6N8Smiles:
CN(CCC(=O)Nc1cccc2c1CNC2=O)C(=O)[C@@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CN(C=O)CCC(=O)Nc1cccc2c1CNC2=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 496.48 | Num_heavy_atoms: | 36 |
| TPSA: | 197.82 | 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 |
AD11278
Formula: C13H15O3N3
Smiles:
CN(C=O)CCC(=O)Nc1cccc2c1CNC2=O| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 261.28 | Num_heavy_atoms: | 19 |
| TPSA: | 78.51 | NumAromaticRings: | 1 |
