Glycoside
GD036898
Name:
NoneFormula:
C26H35O9N11Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CCCC(=O)O)CCO[C@@H]2[C@H](O)[C@H](CO)O[C@H]2n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CN(CCO)CCCC(=O)O.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.58 |
| AlogP: | -2.75 | Num_rotatable_bonds: | 13 |
| MolWt: | 645.63 | Num_heavy_atoms: | 46 |
| TPSA: | 288.39 | NumAromaticRings: | 4 |
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 |
AD23261
Formula: C7H15O3N
Smiles:
CN(CCO)CCCC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 161.2 | Num_heavy_atoms: | 11 |
| TPSA: | 60.77 | NumAromaticRings: | 0 |
