Glycoside
GD060981
Name:
NoneFormula:
C14H13O6N2ClSmiles:
O[C@H]1[C@@H](O)[C@@H](c2nnc(-c3cccc(Cl)c3)o2)O[C@@H](O)[C@@H]1OAglycone:
Clc1cccc(-c2nnco2)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 328.71 | Num_heavy_atoms: | 22 |
| TPSA: | 129.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD29966
Formula: C9H5ON2Cl
Smiles:
Clc1cccc(-c2nnco2)c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 180.59 | Num_heavy_atoms: | 12 |
| TPSA: | 38.92 | NumAromaticRings: | 2 |
