Glycoside
GD011147
Name:
NoneFormula:
C26H22O5N7ClSmiles:
N#Cc1ccc(C(=O)OC[C@@H]2O[C@H](n3c(NCc4ccc(Cl)cc4)nc4c(N)ncnc43)[C@H](O)[C@H]2O)cc1Aglycone:
COC(=O)c1ccc(C#N)cc1.Nc1ncnc2c1N=C(NCc1ccc(Cl)cc1)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.24 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 535.95 | Num_heavy_atoms: | 38 |
| TPSA: | 181.43 | NumAromaticRings: | 4 |
Unique Aglycone
AD08545
Formula: C9H7O2N
Smiles:
COC(=O)c1ccc(C#N)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 1 |
| MolWt: | 161.16 | Num_heavy_atoms: | 12 |
| TPSA: | 50.09 | NumAromaticRings: | 1 |
AD08546
Formula: C13H10N6Cl
Smiles:
Nc1ncnc2c1N=C(NCc1ccc(Cl)cc1)[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 273.71 | Num_heavy_atoms: | 19 |
| TPSA: | 90.29 | NumAromaticRings: | 2 |
