Glycoside
GD029832
Name:
NoneFormula:
C22H25O5N7Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=CNc1ccc(C(=O)N2CCCCC2)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 467.49 | Num_heavy_atoms: | 34 |
| TPSA: | 168.72 | 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 |
AD19359
Formula: C13H16O2N2
Smiles:
O=CNc1ccc(C(=O)N2CCCCC2)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 232.28 | Num_heavy_atoms: | 17 |
| TPSA: | 49.41 | NumAromaticRings: | 1 |
