Glycoside
GD037355
Name:
NoneFormula:
C15H18O5N8Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](Cn2cc(CCC(=O)O)nn2)[C@H](O)[C@H]1OAglycone:
Cn1cc(CCC(=O)O)nn1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 390.36 | Num_heavy_atoms: | 28 |
| TPSA: | 187.32 | 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 |
AD23540
Formula: C6H9O2N3
Smiles:
Cn1cc(CCC(=O)O)nn1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 155.16 | Num_heavy_atoms: | 11 |
| TPSA: | 68.01 | NumAromaticRings: | 1 |
