Glycoside
GD037144
Name:
NoneFormula:
C22H28O5N6Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CCCC(=O)O)CCc2ccccc2)[C@H](O)[C@H]1OAglycone:
CN(CCCC(=O)O)CCc1ccccc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 10 |
| MolWt: | 456.5 | Num_heavy_atoms: | 33 |
| TPSA: | 159.85 | 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 |
AD23420
Formula: C13H19O2N
Smiles:
CN(CCCC(=O)O)CCc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.46 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 221.3 | Num_heavy_atoms: | 16 |
| TPSA: | 40.54 | NumAromaticRings: | 1 |
