Glycoside
GD026846
Name:
NoneFormula:
C26H28O5N7ClSmiles:
CCCCC#Cc1nc(NC(=O)Nc2cccc(Cl)c2)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@H](O)[C@H]3O)c2n1Aglycone:
CCCCC#Cc1nc2c(c(NC(=O)Nc3cccc(Cl)c3)n1)N=C[N]2.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 542.0 | Num_heavy_atoms: | 38 |
| TPSA: | 163.52 | 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 |
AD17677
Formula: C19H16ON6Cl
Smiles:
CCCCC#Cc1nc2c(c(NC(=O)Nc3cccc(Cl)c3)n1)N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 4.23 | Num_rotatable_bonds: | 4 |
| MolWt: | 367.82 | Num_heavy_atoms: | 26 |
| TPSA: | 93.37 | NumAromaticRings: | 2 |
