Glycoside
GD055943
Name:
NoneFormula:
C12H14O7N3ClSmiles:
COc1cnc(Cl)c(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)n1Aglycone:
COc1cnc(Cl)c(N)n1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -2.28 | Num_rotatable_bonds: | 7 |
| MolWt: | 335.7 | Num_heavy_atoms: | 22 |
| TPSA: | 162.1 | NumAromaticRings: | 1 |
Unique Aglycone
AD28176
Formula: C6H6ON3Cl
Smiles:
COc1cnc(Cl)c(N)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 1 |
| MolWt: | 159.58 | Num_heavy_atoms: | 10 |
| TPSA: | 61.03 | NumAromaticRings: | 1 |
