Glycoside
GD029010
Name:
NoneFormula:
C22H24O6N6Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)N2CCC[C@H]2C(=O)OCc2ccccc2)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=CN1CCCC1C(=O)OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 468.47 | Num_heavy_atoms: | 34 |
| TPSA: | 165.92 | 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 |
AD18907
Formula: C13H15O3N
Smiles:
O=CN1CCCC1C(=O)OCc1ccccc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.38 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 233.27 | Num_heavy_atoms: | 17 |
| TPSA: | 46.61 | NumAromaticRings: | 1 |
