Glycoside
GD036281
Name:
NoneFormula:
C25H32O5N10Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)Cc2cn(CCc3ccccc3)nn2)[C@H](O)[C@H]1OAglycone:
CN(CCC(N)C(=O)O)Cc1cn(CCc2ccccc2)nn1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 12 |
| MolWt: | 552.6 | Num_heavy_atoms: | 40 |
| TPSA: | 216.58 | 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 |
AD22898
Formula: C16H23O2N5
Smiles:
CN(CCC(N)C(=O)O)Cc1cn(CCc2ccccc2)nn1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 9 |
| MolWt: | 317.39 | Num_heavy_atoms: | 23 |
| TPSA: | 97.27 | NumAromaticRings: | 2 |
