Glycoside
GD103305
Name:
NoneFormula:
C21H23O5N6ClSmiles:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)n(C(=O)[C@H](C)c3ccccc3Cl)c(=N)nc21Aglycone:
CC(C(=O)n1c(N)c2c(nc1=N)[N]C=N2)c1ccccc1ClSugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 5 |
| MolWt: | 462.89 | Num_heavy_atoms: | 32 |
| TPSA: | 161.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD43724
Formula: C15H12ON6Cl
Smiles:
CC(C(=O)n1c(N)c2c(nc1=N)[N]C=N2)c1ccccc1Cl| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 2 |
| MolWt: | 315.74 | Num_heavy_atoms: | 22 |
| TPSA: | 111.22 | NumAromaticRings: | 2 |
