Glycoside
GD078597
Name:
NoneFormula:
C18H20O6N3ClSmiles:
COc1ccc(-c2cc(Cl)nc(N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)n2)cc1Aglycone:
COc1ccc(-c2cc(Cl)nc(N)n2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 397.82 | Num_heavy_atoms: | 27 |
| TPSA: | 137.19 | NumAromaticRings: | 2 |
Unique Aglycone
AD36116
Formula: C12H10ON3Cl
Smiles:
COc1ccc(-c2cc(Cl)nc(N)n2)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 235.67 | Num_heavy_atoms: | 16 |
| TPSA: | 61.03 | NumAromaticRings: | 2 |
