Glycoside
GD026273
Name:
NoneFormula:
C22H27O6N7Smiles:
CCCOc1ccc(NC(=O)Nc2ncnc3c2ncn3[C@@H]2O[C@H](C(=O)NCC)[C@H](O)[C@H]2O)cc1Aglycone:
CCCOc1ccc(NC(=O)Nc2ncnc3c2N=C[N]3)cc1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 8 |
| MolWt: | 485.5 | Num_heavy_atoms: | 35 |
| TPSA: | 172.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD10797
Formula: C15H15O2N6
Smiles:
CCCOc1ccc(NC(=O)Nc2ncnc3c2N=C[N]3)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 311.32 | Num_heavy_atoms: | 23 |
| TPSA: | 102.6 | NumAromaticRings: | 2 |
