Glycoside
GD090875
Name:
NoneFormula:
C18H20O5N6Cl2Smiles:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)n(C(=O)[C@@]3(C)CC3(Cl)Cl)c(=N)nc21Aglycone:
CC1(C(=O)n2c(N)c3c(nc2=N)[N]C=N3)CC1(Cl)ClSugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 447.28 | Num_heavy_atoms: | 29 |
| TPSA: | 161.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD39565
Formula: C12H9ON6Cl2
Smiles:
CC1(C(=O)n2c(N)c3c(nc2=N)[N]C=N3)CC1(Cl)Cl| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 300.13 | Num_heavy_atoms: | 19 |
| TPSA: | 111.22 | NumAromaticRings: | 1 |
