Glycoside
GD061228
Name:
NoneFormula:
C14H20O5N3ClSmiles:
CC(C)c1c(Cl)ncnc1N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
CC(C)c1c(N)ncnc1ClSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 333.77 | Num_heavy_atoms: | 22 |
| TPSA: | 127.96 | NumAromaticRings: | 1 |
Unique Aglycone
AD30066
Formula: C8H10N3Cl
Smiles:
CC(C)c1c(N)ncnc1Cl| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 171.63 | Num_heavy_atoms: | 11 |
| TPSA: | 51.8 | NumAromaticRings: | 1 |
