Glycoside
GD028535
Name:
NoneFormula:
C24H31O5N7Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNCc2ccccc2OCC(=O)N2CCCCC2)[C@H](O)[C@H]1OAglycone:
CNCc1ccccc1OCC(=O)N1CCCCC1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 497.56 | Num_heavy_atoms: | 36 |
| TPSA: | 160.88 | 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 |
AD13442
Formula: C15H22O2N2
Smiles:
CNCc1ccccc1OCC(=O)N1CCCCC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 262.35 | Num_heavy_atoms: | 19 |
| TPSA: | 41.57 | NumAromaticRings: | 1 |
